3-Hydroxypyridine

Iupac Name：pyridin-3-ol

Molecular Weight：95.101

Modify Date.: 2022-11-29 12:05

Introduction:

white to light yellow crystalChEBI: A monohydroxypyridine that is pyridine in which the hydrogen at position 3 has been replaced by a hydroxy group. It has been detected as a thermal degradation product from the smoke of the burning leaves of Salvia divinorum, a Mexican psychoacive plant.

3-pyridinol is a monohydroxypyridine that is pyridine in which the hydrogen at position 3 has been replaced by a hydroxy group. It has been detected as a thermal degradation product from the smoke of the burning leaves of Salvia divinorum, a Mexican psychoactive plant.

View more+

Request For Quotation

1. Names and Identifiers

: 1.1 Name; 3-Hydroxypyridine; 1.2 Synonyms; 2-PYRIDON 3(1h)-pyridone 3-HP 3-HYDROXY PYRIDINE PYRIDIN-3-OL 3-hydroxy-pyridine 3-Hydroxypyridine(3-Pyridinol) 3-OH-pyridine 3-Oxopyridine 3-Pyridinol 3-Pyridinol,3-Pyridone 3-pyridinylphenol 3-PYRIDOL 3-PYRIDONE 3-Pyridyl alcohol B-PYRIDONE EINECS 205-520-3 MFCD00006268 m-Hydroxypyridine PYRIDIN-3-OL T6NJ CQ TIMTEC-BB SBB004391 Β-Hydroxypyridine; View all

1.3 CAS No.: 109-00-2

1.4 CID: 7971

1.5 EINECS(EC#): 203-637-4

1.6 Molecular Formula: C5H5NO (isomer)

1.7 Inchi: InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H

1.8 InChIkey: GRFNBEZIAWKNCO-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=CN=C1)O

1.10 Isomers Smiles: C1=CC(=CN=C1)O

2. Properties

2.1 Density: 1.172

2.1 Melting point: 123-130℃

2.1 Boiling point: 180℃ (22 torr)

2.1 Refractive index: 1.538

2.1 Flash Point: 146.6 °C

2.1 Precise Quality: 95.03710

2.1 PSA: 33.12000

2.1 logP: 0.78720

2.1 Solubility: 33g/l

2.2 Appearance: Beige to brown Crystalline Powder

2.3 Storage: Light Sensitive. Ambient temperatures.

2.4 Chemical Properties: white to light yellow crystal

2.5 Color/Form: Beige to brown

2.6 PH: 6.0-6.5 (33g/l, H2O, 20℃)

2.7 pKa: 4.79, 8.75(at 20℃)

2.8 Water Solubility: 33g/l

2.9 Stability: Stable under normal temperatures and pressures.

2.10 StorageTemp: Keep in dark place,Sealed in dry,Room Temperature

3. Use and Manufacturing

3.1 Definition: ChEBI: A monohydroxypyridine that is pyridine in which the hydrogen at position 3 has been replaced by a hydroxy group. It has been detected as a thermal degradation product from the smoke of the burning leaves of Salvia divinorum, a Mexican psychoacive plant.

3.2 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 35 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 2 of 35 companies. For more detailed information, please visit ECHA C&L website

Of the 7 notification(s) provided by 33 of 35 companies with hazard statement code(s):

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (96.97%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501; View all

3.3 Methods of Manufacturing: It is derived from pyridine through sulfonation, alkali fusion and neutralization. Add fuming sulfuric acid into the dry reaction pot, add pyridine dropwise with stirring, and then add mercury sulfate. Heat to 230-240℃, keep for 13-14h. Cool to 20-25°C, add ethanol to it, continue cooling to below 5°C, and crystallize. Filter to get pyridine-3-sulfonic acid. The melting point is 345°C, and the yield is 62%. Add sodium hydroxide and pyridine-3-sulfonic acid into the reaction pot, melt at 160°C, and heat to 220-230°C for 4h. Cool to 100°C, add water to dissolve, adjust the pH to 4 with 30% hydrochloric acid, concentrate under reduced pressure, and filter to remove sodium chloride. The filtrate was adjusted to pH 8-9 with saturated sodium carbonate, cooled and filtered, and dried to obtain crude 3-hydroxypyridine with a yield of 64%. Recrystallized with toluene to obtain a refined product, with a melting point of 126-128°C, a content of 98%, and a refined yield of 80%.

3.4 Purification Methods: Crystallise 3-hydroxypyridine from *C6H6, water or EtOH. [Beilstein 21 III/IV 402, 21/2 V 68.] 3-Hydroxypyridine Preparation Products And Raw materials Preparation Products

4. Safety and Handling

4.1 Symbol: GHS07;

4.1 Hazard Codes: Xi

4.1 Signal Word: Warning

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S26;S37/39

4.1 Hazard Declaration: H315; H319; H335

4.1 RIDADR: NONH for all modes of transport

4.1 Caution Statement: P261; P305 + P351 + P338

4.1 WGK Germany: 3

4.1 RTECS: UV1144050

4.1 Safety: Hazard Codes:Xi,Xn
Risk Statements:36/37/38-40
36/37/38:Irritating to eyes, respiratory system and skin
40:Limited evidence of a carcinogenic effect
Safety Statements:26-36-37/39-22
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
37/39:Wear suitable protective clothing, gloves and eye/face protection
22:Do not breathe dust
WGK Germany:3
Hazard Note:Irritant
HS Code:29333999

4.2 Specification: white to light yellow crystal
Safety Statements:26-36-37/39-22
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
37/39:Wear suitable protective clothing, gloves and eye/face protection
22:Do not breathe dust

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : in CDCl3

13C NMR : Predict

1H NMR : 400 MHz in CDCl3

1H NMR : parameter in DMSO-d6

1H NMR : Predict

Predict 1H proton NMR

IR : KBr disc

IR : nujol mull

Mass

7. Synthesis Route

109-00-2Total: 48 Synthesis Route

98-01-1 175 Suppliers

109-00-2 303 Suppliers

Literatures:
Rikagaku Kenkyusho Iho, , vol. 18, p. 177 Bl.Inst.phys.chem.Res.Abstr.Tokyo, , vol. 12, p. 9 Chem. Zentralbl., , vol. 110, # I p. 4191
Yield: ~%

98-01-1 175 Suppliers

109-00-2 303 Suppliers

5154-01-8 12 Suppliers

Literatures:
Rikagaku Kenkyusho Iho, , vol. 18, p. 177 Bl.Inst.phys.chem.Res.Abstr.Tokyo, , vol. 12, p. 9 Chem. Zentralbl., , vol. 110, # I p. 4191
Yield: null

626-60-8 127 Suppliers

109-00-2 303 Suppliers

Literatures:
Anderson, Kevin W.; Ikawa, Takashi; Tundel, Rachel E.; Buchwald, Stephen L. Journal of the American Chemical Society, 2006 , vol. 128, # 33 p. 10694 - 10695
Yield: ~94%

View all

8. Other Information

8.0 BRN: 105699

8.1 Chemical Properties: white to light yellow crystal

8.2 Uses: 3-Hydroxypyridine (cas# 109-00-2) is a compound useful in organic synthesis.

8.3 Definition: ChEBI: A monohydroxypyridine that is pyridine in which the hydrogen at position 3 has been replaced by a hydroxy group. It has been detected as a thermal degradation product from the smoke of the burning leaves of Salvia divinorum, a Mexican psychoac ive plant.

8.4 Brand name: Ventavis (Schering).

8.5 Purification Methods: Crystallise 3-hydroxypyridine from *C6H6, water or EtOH. [Beilstein 21 III/IV 402, 21/2 V 68.]

8.6 Storage Conditions: It is derived from pyridine through sulfonation, alkali fusion and neutralization. Add fuming sulfuric acid into the dry reaction pot, add pyridine dropwise with stirring, and then add mercury sulfate. Heat to 230-240℃, keep for 13-14h. Cool to 20-25°C, add ethanol to it, continue cooling to below 5°C, and crystallize. Filter to get pyridine-3-sulfonic acid. The melting point is 345°C, and the yield is 62%. Add sodium hydroxide and pyridine-3-sulfonic acid into the reaction pot, melt at 160°C, and heat to 220-230°C for 4h. Cool to 100°C, add water to dissolve, adjust the pH to 4 with 30% hydrochloric acid, concentrate under reduced pressure, and filter to remove sodium chloride. The filtrate was adjusted to pH 8-9 with saturated sodium carbonate, cooled and filtered, and dried to obtain crude 3-hydroxypyridine with a yield of 64%. Recrystallized with toluene to obtain a refined product, with a melting point of 126-128°C, a content of 98%, and a refined yield of 80%.

8.7 Mesh: Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

8.8 Manufacturing Info: 3-Pyridinol: ACTIVE

9. Computational chemical data

Molecular Weight: 95.101g/mol
Molecular Formula: C₅H₅NO
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 95.037113783
Monoisotopic Mass: 95.037113783
Complexity: 56
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 33.1
Heavy Atom Count: 7
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: AAADcYBiIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAACAAACATBkgQ8hpIIEgCgADBnRASCgCAxYiAI2CA/bJgKJuLSkZOEcAhkwBHY2AYwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10. Question & Answer

What are the characteristics and applications of 3-Hydroxypyridine? Jul 21 2024
Introduction 3-Hydroxypyridine is a colorless to pale yellow needle-like crystal. The compound is easily soluble in alcohols and water, slightly soluble in ethers and benzene. Its physical properties ..
How to Prepare 3-Hydroxypyridine? Jul 13 2024
3-Hydroxypyridine is an important chemical reagent that can serve as an intermediate for drugs like penicillin, and also as a highly efficient catalyst due to the presence of both Lewis acid and base..
What is the specific production method of 3-Hydroxypyridine? Nov 07 2022
3-Hydroxypyridine is a chemical compound that appears as colorless crystalline symptoms. It can dissolve in water and alcohol, but when it encounters ferric chloride, it forms a red liquid. It is also..

11. Recommended Suppliers

Global281SuppliersView all >>

Hebei Crovell Biotech Co. Ltd Diamond member

4YRS

Products:Cosmetic Raw Materials,solvents,etc.
Tel:86-311-66562153
Email:summer@crovellbio.com

Hot sale manufacturer price 3-Hydroxypyridine/3-Pyridinol CAS 109-00-2

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2024/11/15

Inquire

Tianjin Furun Tongda International Trade Co., LTD Diamond member

1YR

Products:Plastic particles, chemical products
Tel:+86-0-18032801167
Email:Nora@furuntongda.com

High quality 3-Hydroxypyridine CAS 109-00-2in stock

Purity:99%Packing: 200kg/bag FOB
Price: 23 USD/kg
Time: 2024/11/15

Inquire

Baoji Guokang Healthchem co.,ltd Diamond member

1YR

Products:API',s intermediates,fine chemicals and plant extracts.
Tel:86-917-3909592
Email:gksales1@gk-bio.com

3-Hydroxypyridine

Purity:99%Packing: 200kg/bag FOB
Price: 0 USD/kg
Time: 2024/11/15

Inquire

Hebei Yanxi Chemical Co.,Ltd Diamond member

6YRS

Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
Tel:86-185-31123677
Email:xing@yan-xi.com

3-Hydroxypyridine

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2024/11/14

Inquire

Hebei Saisier Technology Co., LTD Diamond member

2YRS

Products:Our company specializes in the research and development of fine chemicals, food additives and pharmaceutical raw materials
Tel:86-17656389-633
Email:Vicky@hbsaisier.cn

109-00-2 3-Hydroxypyridine TIMTEC-BB SBB004392