3D Mol Similar

Water

: Iupac Name：oxidane; CAS No.: 7732-18-5; Molecular Weight：18.01528; Modify Date.: 2023-04-27 11:14; Introduction:
Water, with the chemical formula H2O and CAS registry number 7732-18-5, is a compound known for its essential role in sustaining life on Earth. It is a colorless, odorless, and tasteless liquid that exists in three states: solid (ice), liquid, and gas (water vapor). Water is the most abundant substance on Earth's surface and is found in oceans, lakes, rivers, and even in the atmosphere. It is a universal solvent, meaning it has the ability to dissolve a wide variety of substances. Water is crucial for various biological processes, such as hydration, digestion, and transportation of nutrients in organisms. It also plays a vital role in regulating temperature, maintaining ecosystems, and supporting human activities, including agriculture, industry, and recreation. Additionally, water is involved in chemical reactions, making it an important reactant or solvent in many industrial processes and laboratory experiments. Overall, water is a fundamental compound that is essential for the existence and functioning of life as we know it.
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1. Names and Identifiers

: 1.1 Name; Water; 1.2 Synonyms; Dihydrogen Monoxide Diprotium oxide Distilled water EINECS 215-185-5 H2O Water vapor Water,purified

1.3 CAS No.: 7732-18-5

1.4 CID: 962

1.5 EINECS(EC#): 215-185-5

1.6 Molecular Formula: H2O (isomer)

1.7 Inchi: InChI=1S/H2O/h1H2

1.8 InChIkey: XLYOFNOQVPJJNP-UHFFFAOYSA-N

2. Properties

2.1 Density: 1

2.1 Melting point: 318 °C(lit.)

2.1 Boiling point: 100℃

2.1 Refractive index: 1.329

2.1 Flash Point: 100°C

2.2 Precise Quality: 18.01060

2.2 PSA: 9.23000

2.2 logP: -0.06430

2.2 Solubility: H2O: 1?M at?20?°C, clear, colorless

2.3 Viscosity: Dynamic viscosity: 0.8949 cP at 25 °C; Kinematic viscosity: 0.8976 cP at 25 °C

2.4 VaporDensity: <1 (vs air)

2.5 Appearance: colourless liquid

2.6 Storage: 2-8℃

2.7 Chemical Properties: colourless liquid

2.8 Physical Properties: Colorless, odorless, tasteless liquid; refractive index 1.3330; exists in three allotropic forms: solid ice, liquid water, and gaseous steam (or vapor); density of water increases with temperature, becomes maximum 1.0000 g/mL at 3.98°C and then decreases with rise in temperatures; density at 25°C 0.997 g/cm3; density of water at 100°C 0.9584 g/mL; density of steam 0.000596 g/mL at 100°C. Water freezes to ice at 0°C; expands by about 10% on freezing; boils at 100°C; vapor pressure at 0°, 20°, 50°, and 100°C are 4.6, 17.5, 92.5, and 760 torr, respectively; dielectric constant 80.2 at 20°C and 76.6 at 30°C; dipole moment in benzene at 25°C 1.76; critical temperature 373.99°C; critical pressure 217.8 atm; critical density 0.322 g/cm3; viscosity 0.01002 poise at 20°C; surface tension 73 dynes/cm at 20°C; dissolves ionic substances; miscible with mineral acids, alkalies; low molecular weight alcohols, aldehydes and ketones; forms an azeotrope with several solvents; immiscible with nonpolar solvents such as carbon tetrachloride, hexane, chloroform, benzene, toluene, and carbon disulfide.; View all

2.9 Color/Form: White to off-white

2.10 Corrosivity: The solvent powers of water exerted in man-made conduit/pipe systems ... lead to ... corrosion and scaling

2.11 Heat of Vaporization: 9.717 kcal/mole

2.12 Odor: Odorless

2.13 PH: 14 (H2O, 20°C)

2.14 pKa: pKa 13.996±0.001(H2Ot = 25.00I = 0.000) (Uncertain)

2.15 Water Solubility: H2O: 1?M at?20?°C, clear, colorless

2.16 Stability: Stable. Incompatible with reactive metals.

2.17 StorageTemp: Store at +5°C to +30°C.

2.18 Surface Tension: 71.97 dyne/cm at 25 °C

3. Use and Manufacturing

3.1 Definition: ChEBI: An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms.

3.2 Produe Method: Water is produced by combustion of hydrogen with oxygen at high temperatures in the presence of a catalyst. Also, all combustion reactions of hydrocarbons (C, H compounds) or oxygenated hydrocarbons (C, H, O) yield water and carbon dioxide:CH4 + 2O2 → CO2 + 2H2O2CH3OH + 2O2 → 2CO2 + 4H2OAll acid-base neutralization reactions form water:HCl + NaOH → NaCl + 4H2OOrganic condensation reactions eliminate a water molecule:CH3COOH + C2H5OH → CH3COOC2H5 + H2OMany hydroxides dehydrate at high temperatures forming oxides and water:Ca(OH)2 → CaO + H2OWater can be purified by distillation, ion exchange, filtration, carbon adsorption, and chlorination.

3.3 Usage: Water is among the most important compounds on earth. It is the main constituent of the hydrosphere, which along with the mantle, crust, and the atmosphere are the four components of our planet. It is present everywhere on earth and is essential for sustenance of life. Water also determines climate, weather pattern, and energy balance on earth. It also is one of the most abundant compounds. The mass of all water on earth is 1.4x1021 kg and the total volume is about 1.4x109 km3, which includes 97.20% of salt water of oceans, 2.15% of fresh water in polar ice caps and glaciers, 0.009% in freshwater lakes, 0.008% in saline lakes, 0.62% as ground waters, 0.005% in soil moisture; 0.0001% in stream channels and 0.001% as vapors and moisture in the atmosphere. Among the major industrial applications of water are generation of hydroelectric power, steam generation, industrial solvent, diluent, moderator in nuclear reactions, industrial coolant, washing and cleaning, textile processing, preparation of food and beverages, filtration processes, and generation of hydrogen by electrolysis. Also, water provides the aqueous phase to carry out innumerable chemical reactions in the production of myriads of chemical substances including mineral acids, alkalies and their salts.; View all

4. Safety and Handling

4.1 Hazard Codes: Xn

4.1 Risk Statements: R36/38

4.1 Safety Statements: S26

4.1 RIDADR: UN 1824 8/PG 2

4.1 WGK Germany: 1

4.1 RTECS: WB4900000

4.1 Report: EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

4.2 Safety: ?Human systemic effects by ingestion of very large amounts: body temperature increase, convulsions, diarrhea, fever, hypermotility, muscle contraction or spasticity, mydriasis, nausea or vomiting, tremors. Human and experimental death reported by various routes at sufficiently large doses.
Hazard Codes:?C
Risk Statements: 36/38
R36/38:Irritating to eyes and skin.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1824 8/PG 2
WGK Germany: 1
RTECS: WB4900000
F: 34

4.3 Specification: ? Water is the chemical substance with chemical formula H₂O: one molecule of water as two hydrogen atoms covalently bonded to a single oxygen atom. Water is a tasteless, odorless liquid at standard temperature and pressure. Water is a polar molecule, so it has a high surface tension.Water also has high adhesion properties because of its polar nature. Water is a very strong solvent and is often referred to as the universal solvent.The boiling point of water is related to the barometric pressure. For example, on the top of Mt. Everest water boils at about 68 °C (154 °F), compared to 100 °C (212 °F) at sea level. Water is miscible with many liquids, for example ethanol, in all proportions, forming a single homogeneous liquid.Water and most oils are immiscible usually forming layers according to increasing density from the top. As a gas, water vapor is completely miscible with air. Water forms an azeotrope with many other solvents. Water can be split by electrolysis into hydrogen and oxygen.; View all

4.4 Toxicity

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	oral	320gm/kg (320000mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacology and Experimental Therapeutics. Vol. 29, Pg. 135, 1926.
dog	LDLo	oral	629gm/kg (629000mg/kg)	?	Journal of Pharmacology and Experimental Therapeutics. Vol. 29, Pg. 135, 1926.
guinea pig	LDLo	oral	429gm/kg (429000mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacology and Experimental Therapeutics. Vol. 29, Pg. 135, 1926.
infant	TDLo	oral	333gm/kg (333000mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Archives of Disease in Childhood. Vol. 54, Pg. 551, 1979.
man	TDLo	oral	42.86gm/kg (42860mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Journal of Pharmacology and Experimental Therapeutics. Vol. 29, Pg. 135, 1926.
mouse	LD50	intraperitoneal	190gm/kg (190000mg/kg)	?	National Technical Information Service. Vol. AD628-313,
mouse	LD50	intravenous	25gm/kg (25000mg/kg)	?	Microvascular Research. Vol. 8, Pg. 320, 1974.
rabbit	LDLo	intravenous	13gm/kg (13000mg/kg)	BLOOD: OTHER HEMOLYSIS WITH OR WITHOUT ANEMIA	Journal of Pharmacology and Experimental Therapeutics. Vol. 29, Pg. 135, 1926.
rabbit	LDLo	oral	368gm/kg (368000mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacology and Experimental Therapeutics. Vol. 29, Pg. 135, 1926.
rabbit	LDLo	rectal	450gm/kg (450000mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	JAMA, Journal of the American Medical Association. Vol. 104, Pg. 1569, 1935.
rat	LD50	oral	> 90mL/kg (90mL/kg)	?	Food Research. Vol. 21, Pg. 348, 1956.
women	LDLo	rectal	180gm/kg/28H (180000mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: NAUSEA OR VOMITING	JAMA, Journal of the American Medical Association. Vol. 104, Pg. 1569, 1935.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

Mass spectrum (electron ionization)

7. Synthesis Route

7732-18-5Total: 432 Synthesis Route

88-74-4

7732-18-5 267 Suppliers

95-54-5 177 Suppliers

Literatures:
Trans.electroch.Soc., , vol. 68, p. 329,346
Yield: ~%

67-64-1

7732-18-5 267 Suppliers

74-99-7 63 Suppliers

Literatures:
US2004/102647 A1, ; Page 2 ;
Yield: ~%

90-02-8 150 Suppliers

7732-18-5 267 Suppliers

69-72-7 736 Suppliers

Literatures:
Chemische Berichte, , vol. 61, p. 2237 Chemische Berichte, , vol. 63, p. 554 Anm. 8, 557
Yield: null

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8. Precursor and Product

precursor:

64-17-5

75-07-0

63-91-2

64-18-6

57-13-6

76-93-7

91-01-0

99-96-7

98-80-6

75-65-0

77-99-6

76-09-5

98-05-5

71-23-8

64-19-7

90-02-8

76-40-4

View all

product :

79-31-2

1333-74-0

75-87-6

1195-34-2

59-92-7

623-49-4

50981-12-9

3352-57-6

717888-41-0

10028-15-6

68579-77-1

69-93-2

57-04-5

12014-56-1

94-36-0

7782-44-7

56-82-6

78-98-8

88-65-3

153851-84-4

56-40-6

56-89-3

80937-33-3

90-59-5

95-02-3

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9. Other Information

9.0 Usage: It is used as mobile phase solvent in LC-MS analysis.

9.1 Usage: For NMR use

9.2 Usage: Water Endotoxin-free is used as solvent in industries and in all research fields. It is also used in laboratory for cell isolation and culture. It is also useful for elution of endotoxin- free plasmid DNA.

9.3 Usage: Used in conductometric titration, Synthesis of nanomaterials. Mostly it is used as solvent in industries and in all research fields.

9.4 Usage: Water, RNase, DNase-free high quality, RNase/DNase-free water is used in all molecular biology applications like PCR, DNA. Diethylpyrocarbonate (DEPC)-treated Water is guaranteed nuclease-free (tested for both DNase and RNase) and is suitable for all RNA work.

9.5 Usage: Water ultrapure is used as a mobile phase in High Performance Liquid Chromatography and Liquid Chromatography coupled with Mass Spectrometry. It is also used in conductometric titration.

9.6 Usage: Water ultrapure is used in spectrophotometry and environmental testing. It is also used in conductometric titration.

9.7 Merck: 14,10039

9.8 BRN: 2050024

9.9 Physical properties: Colorless, odorless, tasteless liquid; refractive index 1.3330; exists in three allotropic forms: solid ice, liquid water, and gaseous steam (or vapor); density of water increases with temperature, becomes maximum 1.0000 g/mL at 3.98°C and then decreases with rise in temperatures; density at 25°C 0.997 g/cm3; density of water at 100°C 0.9584 g/mL; density of steam 0.000596 g/mL at 100°C. Water freezes to ice at 0°C; expands by about 10% on freezing; boils at 100°C; vapor pressure at 0°, 20°, 50°, and 100°C are 4.6, 17.5, 92.5, and 760 torr, respectively; dielectric constant 80.2 at 20°C and 76.6 at 30°C; dipole moment in benzene at 25°C 1.76; critical temperature 373.99°C; critical pressure 217.8 atm; critical density 0.322 g/cm3; viscosity 0.01002 poise at 20°C; surface tension 73 dynes/cm at 20°C; dissolves ionic substances; miscible with mineral acids, alkalies; low molecular weight alcohols, aldehydes and ketones; forms an azeotrope with several solvents; immiscible with nonpolar solvents such as carbon tetrachloride, hexane, chloroform, benzene, toluene, and carbon disulfide.; View all

9.10 Uses: Water is among the most important compounds on earth. It is the main constituent of the hydrosphere, which along with the mantle, crust, and the atmosphere are the four components of our planet. It is present everywhere on earth and is essential for sustenance of life. Water also determines climate, weather pattern, and energy balance on earth. It also is one of the most abundant compounds. The mass of all water on earth is 1.4x1021 kg and the total volume is about 1.4x109 km3, which includes 97.20% of salt water of oceans, 2.15% of fresh water in polar ice caps and glaciers, 0.009% in freshwater lakes, 0.008% in saline lakes, 0.62% as ground waters, 0.005% in soil moisture; 0.0001% in stream channels and 0.001% as vapors and moisture in the atmosphere. Among the major industrial applications of water are generation of hydroelectric power, steam generation, industrial solvent, diluent, moderator in nuclear reactions, industrial coolant, washing and cleaning, textile processing, preparation of food and beverages, filtration processes, and generation of hydrogen by electrolysis. Also, water provides the aqueous phase to carry out innumerable chemical reactions in the production of myriads of chemical substances including mineral acids, alkalies and their salts.; View all

9.11 Reactions: Water undergoes autoionization to a small extent; the ionization constant at 25°C is 1.008x10–14: 2H2O(l) ? H3O+(aq) + OHˉ Water reacts both as an acid and a base. With bases it reacts as an acid: NH3(aq) + H2O(l) ? NH4+(aq) + OHˉ; and with acids it reacts as a base: HCl (aq) + H2O(l) → H3O+(aq) + Clˉ(aq) Water reacts with many metal oxides and nonmetal oxides forming bases and acids, respectively: MgO(s) + H2O(l) → Mg(OH)2(s) CaO(s) + H2O(l) → Ca(OH)2 (s) N2O5(s) + H2O(l) → 2HNO3(l) P4O10(s) + 6H2O (l) → 4H3PO4(s) Water also behaves both as an oxidizing and reducing agent. With alkali and alkaline earth metals, which are strong reducing agents, water acts as an oxidizing agent. Reactions occur violently or vigorously at ambient temperatures with all alkali metals and calcium, strontium, and barium forming their hydroxides with liberation of hydrogen: 2K(s) + 2H2O(l) → 2KOH(aq) + H2(g) Ca(s) + 2H2O(l) → Ca(OH)2(s) + H2(g) With less active metals, reactions occur at high temperatures. In such reactions oxides are formed instead of hydroxides, liberating hydrogen: Mg(s) + H2O(l) → MgO(s) + H2(g) Ni(s) + H2O (l) → NiO(s) + H2(g) 3Fe(s) + 4H2O (l) → Fe3O4(s) + 4H2(g) Water reacts with nonmetals and metalloid elements at very high temperatures forming oxides: C(s) + H2O(g) →CO(g) + H2(g) Ge(s) + 2H2O(l) →GeO2(s) + 2H2 (g) Water behaves as a reducing agent in reactions with oxidizing agents: 2F2 (g) + 2H2O (l) → 4HF (aq) + O2 (g) Water reacts with carbon monoxide at high temperatures (200 to 400°) in the presence of a catalyst to yield carbon dioxide and hydrogen. The reaction also is known as water-gas shift reaction: CO(g) + H2O(l) ? CO2 (g) + H2 (g) Water reacts with metal hydrides liberating hydrogen. With the hydrides of sodium and potassium the reaction progresses with explosive violence: NaH + H2O → NaOH + H2 With alkali metal amides violent reactions occur, forming alkali hydroxides and ammonia: NaNH2 + H2O → NaOH + NH3 Violent reactions occur with lithium aluminum hydride and similar compounds: LiAlH4 + 4H2O → LiOH + Al(OH)3 + 4H2 Sodium ethoxide decomposes in water forming sodium hydroxide and ethanol: NaOC2H5 + H2O → NaOH + C2H5OH Sulfuryl chloride, SO2Cl2, reacts with ice-cold water to form a hydrate, SO2Cl2?15H2O. However, at ambient temperature water decomposes sulfuryl chloride slowly forming sulfuric acid and hydrochloric acid: SO2Cl2 + 2H2O → H2SO4 + 2HCl Water reacts with calcium carbide to form acetylene: CaC2 + H2O → C2H2 + CaO Water forms hydrates with a large number of metal salts. Such hydrates are formed from absorption of moisture from air by anhydrous salts. Examples are Na2SO4?7H2O, CuSO4?5H2O, and BaCl2?2H2O. In many salt hydrates, water molecules coordinate to the metal ions, e.g., [Ni(H2O)6](NO3)2. Organic esters are hydrolyzed to form corresponding organic acids and alcohol. The reaction is catalyzed by acids: RCOOR’ + H2O → RCOOH + R’OH; View all

9.12 Production Methods: Water is produced by combustion of hydrogen with oxygen at high temperatures in the presence of a catalyst. Also, all combustion reactions of hydrocarbons (C, H compounds) or oxygenated hydrocarbons (C, H, O) yield water and carbon dioxide:
CH4 + 2O2 → CO2 + 2H2O
2CH3OH + 2O2 → 2CO2 + 4H2O
All acid-base neutralization reactions form water:
HCl + NaOH → NaCl + 4H2O
Organic condensation reactions eliminate a water molecule:
CH3COOH + C2H5OH → CH3COOC2H5 + H2O
Many hydroxides dehydrate at high temperatures forming oxides and water:
Ca(OH)2 → CaO + H2O
Water can be purified by distillation, ion exchange, filtration, carbon adsorption, and chlorination.

9.13 Chemical Properties: colourless liquid

9.14 Uses: For use in the preparation of cell culture media, and cell suspension and washing solutions.

9.15 Uses: For use in embryo manipulation.

9.16 Uses: water is listed also as catalyzed, deionized, demineralized, distilled, pure spring, and purified water. Water is an important skin component and is essential for its proper functioning. It is the most common ingredient used in cosmetic formulations and, therefore, is generally listed first on product labels. Water is usually processed to eliminate hardness and minerals, and to avoid product contamination.

9.17 Uses: Water is a colorless, odorless, tasteless liquid formed by the combi- nation of two hydrogen and one oxygen atoms. it allows substances to dissolve and functions as a solvent, dispersing medium, hydrate, and promoter of chemical changes. it is a major constituent in meats, fruits, and vegetables. distilled water is obtained by conden- sation of water vapor.

9.18 Definition: ChEBI: An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms.

9.19 General Description: Water is widely used for HPCE (High-Performance Capillary Electrophoresis), luminescence and UV-spectroscopic studies.

10. Computational chemical data

Molecular Weight: 18.01528g/mol
Molecular Formula: H₂O
Compound Is Canonicalized: True
XLogP3-AA: -0.5
Exact Mass: 18.010564683
Monoisotopic Mass: 18.010564683
Complexity: 0
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 1
Heavy Atom Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcQAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Question & Answer

What is the true pKa of water according to thermodynamics? Feb 27 2024
According to thermodynamics, the true pKa of water is 14. However, some studies suggest a pKa of 14 or 15.74. This discrepancy arises from confusion between the ionic products of water and the acid di..
What Makes Water Such a Remarkable Compound? Feb 25 2024
Water, the essential substance for life as we know it, is a compound with the chemical formula H2O. Beyond its basic composition, water possesses unique properties and significance that make it truly ..
What is the Charge Distribution of Water Molecule? Feb 03 2024
Water (H2O) is both a neutral and polar molecule due to its hydrogen bonding, resulting in a partial positive charge on hydrogen and a negative charge on oxygen. The concept of ionic charge refers to ..
Is Water a Polar Molecule? Dec 16 2023
Overview Water plays a crucial role in climate and weather, serving as the most abundant greenhouse gas in the atmosphere. It is responsible for retaining 40–70% of Earth’s heat. The planet’s geoch..

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ALKALINE TRANSFER SOLUTION CAS 7732-18-5 Inorganic chemicals