3D Mol Similar

Butylmagnesium chloride

: Iupac Name：magnesium;butane;chloride; CAS No.: 693-04-9; Molecular Weight：116.871; Modify Date.: 2022-11-29 07:54; Introduction:
Butylmagnesium chloride, with the chemical formula C4H9ClMg and CAS registry number 693-04-9, is a compound known for its applications in organic synthesis. This colorless liquid, also referred to as n-Butylmagnesium chloride, is characterized by its butyl and magnesium functional groups. It is commonly used as a Grignard reagent, offering a versatile platform for the formation of carbon-carbon bonds and the introduction of the butyl group into various molecules. Butylmagnesium chloride is often utilized in the preparation of alcohols, ketones, and carboxylic acids, among other organic compounds. It is important to handle this compound with caution, as it is highly reactive and sensitive to air and moisture. Overall, Butylmagnesium chloride plays a crucial role in the field of organic chemistry, enabling the synthesis of complex molecules and facilitating the development of new drugs, materials, and technologies.
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1. Names and Identifiers

: 1.1 Name; Butylmagnesium chloride; 1.2 Synonyms; Butylchloromagnesium Butylmagnesiumm chloride Magnesium, butylchloro- n-Butylmagnesium chloride

1.3 CAS No.: 693-04-9

1.4 CID: 101837

1.5 EINECS(EC#): 211-739-5

1.6 Molecular Formula: C4H9ClMg (isomer)

1.7 Inchi: InChI=1S/C4H9.ClH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1

1.8 InChIkey: QUXHCILOWRXCEO-UHFFFAOYSA-M

1.9 Canonical Smiles: CCC[CH2-].[Mg+2].[Cl-]

1.10 Isomers Smiles: CCC[CH2-].[Mg+2].[Cl-]

2. Properties

2.1 Density: 0.828

2.1 Melting point: -17℃

2.1 Boiling point: 66℃

2.1 Flash Point: -21℃

2.1 Precise Quality: 116.02400

2.1 PSA: 0.00000

2.1 logP: 2.44360

2.1 Appearance: Green-brown to brown Solution

2.2 Storage: Moisture Sensitive. Air Sensitive. Store under Nitrogen. Ambient temperatures.

2.3 Chemical Properties: green-brown to brown solution Butylmagnesium chloride Preparation Products And Raw materials Preparation Products

2.4 Color/Form: Green-brown to brown

2.5 Water Solubility: Solubility in water: reaction

2.6 StorageTemp: 2-8°C

3. Safety and Handling

3.1 Hazard Codes: F; C

3.1 Risk Statements: R11;R14/15;R19;R34;R48/20;R63;R65;R67

3.1 Safety Statements: S16;S26;S29;S36/37/39;S45;S46;S62

3.1 Packing Group: II

3.1 Hazard Class: 4.3

3.1 Hazard Declaration: H225

3.1 RIDADR: UN 3399

3.1 Caution Statement: P210, P222, P223, P231+P232, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P334, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P335+P334, P363, P370+P378, P402+P404, P403+P235, P405, P422, P501

3.1 WGK Germany: 1

3.1 Sensitive: Air & Moisture Sensitive

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Substances and mixtures, which in contact with water, emit flammable gases, Category 1

Skin corrosion, Category 1B

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H225 Highly flammable liquid and vapour H260 In contact with water releases flammable gases which may ignite spontaneously H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P223 Do not allow contact with water. P231+P232 Handle and store contents under inert gas/.... Protect from moisture. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P302+P335+P334 IF ON SKIN: Brush off loose particles from skin. Immerse in cool water [or wrap in wet bandages]. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P402+P404 Store in a dry place. Store in a closed container. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Synthesis Route

693-04-9Total: 6 Synthesis Route

109-69-3 148 Suppliers

693-04-9 95 Suppliers

Literatures:
Chemische Berichte, , vol. 123, # 7 p. 1517 - 1528
Yield: null

109-69-3 148 Suppliers

47205-57-2

10394-60-2

693-04-9 95 Suppliers

Literatures:
Bogdanovic, Borislav; Janke, Nikolaus; Kinzelmann, Hans-Georg Chemische Berichte, 1990 , vol. 123, # 7 p. 1507 - 1515
Yield: null

109-69-3 148 Suppliers

47205-57-2

10394-60-2

693-04-9 95 Suppliers

126694-91-5

Literatures:
Chemische Berichte, , vol. 123, # 7 p. 1507 - 1515
Yield: null

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6. Precursor and Product

precursor:

109-69-3

86901-19-1

product :

111-84-2

1119-90-0

10405-85-3

1118-46-3

360-34-9

3449-28-3

995-45-9

2366-52-1

60973-61-7

111-14-8

591-76-4

71-41-0

15754-54-8

3431-67-2

627-05-4

338-49-8

4813-50-7

1600-29-9

4055-65-6

1920-90-7

2386-60-9

90-99-3

866-32-0

583-03-9

998-40-3

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7. Other Information

7.0 Usage: n-Butylmagnesium chloride is used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

7.1 Mesh Entry Terms: BuMgCl

7.2 Production: 100,000 - 500,000 lb

7.3 Manufacturing Info: All other basic organic chemical manufacturing|Magnesium, butylchloro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

8. Computational chemical data

Molecular Weight: 116.871g/mol
Molecular Formula: C₄H₉ClMg
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 116.0243197
Monoisotopic Mass: 116.0243197
Complexity: 11.5
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 0
Heavy Atom Count: 6
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: 3
CACTVS Substructure Key Fingerprint: AAADccBgAAAEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. Question & Answer

What are the characteristics of Butylmagnesium chloride? Sep 08 2024
Butylmagnesium chloride, also known as butylmagnesium chloride, is a commonly used Grignard reagent. It has a melting point of -17°C, a boiling point of 66°C, and a density of 0.962 g/mL at 25°C. This..
How does the performance of oxygenne graphene change with Bothlmagnesium chloride? Mar 19 2024
By analyzing the restore process, we will deeply understand the effect of Bethlmagnesium ChLoride to restore the effects and performance of gallery . Brief description: Butylmagnesium chloride , Engl..

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Butylmagnesium?chloride