Basic information
- CAS
13466-41-6- Standard SMILES
Cc1cc[nH]c(=O)c1- InChIKey
YBDRFJXGJQULGH-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276385
Overview
2-Hydroxy-4-methylpyridine is a member of methylpyridines.
Names & identifiers
- Preferred name
- 2-Hydroxy-4-methylpyridine
- IUPAC
- 4-methyl-1H-pyridin-2-one
- English name
- 2-Hydroxy-4-methylpyridine
- Molecular formula
- C6H7NO
- Molecular weight
- 109.13
Names & synonyms
2-Hydroxy-4-methylpyridineDTXSID00299790RefChem:473216DTXCID80250925627-289-113466-41-64-methylpyridin-2-ol4-methyl-1H-pyridin-2-one4-methyl-1,2-dihydropyridin-2-one4-Methyl-2(1H)-pyridinone2(1H)-Pyridinone, 4-methyl-91914-05-5
Show more names
4-METHYL-2-PYRIDINOL2-Hydroxy-4-Piocoline4-METHYL-PYRIDIN-2-OL4-Methylpyridine-2-olHydroxy-4-Methylpyrid4-METHYL-2(1H)-PYRIDONE
4-methylpyridin-2(1H)-one4-Methyl-2-pyridone2-Pyridinol, 4-methyl-MFCD001342982(1H)-Pyridone, 4-methyl-4-Methyl-2-pyridinone4-Methylpyridin-2-one2-Hydroxy-4-picoline
Database identifiers
- CAS
13466-41-6、91914-05-5- PubChem CID
- 280741
- DTXSID
DTXSID00299790- ChEMBL
CHEMBL4593828- ChEBI
CHEBI:194825
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 131 · 131-134 °C (lit.)
- Boiling point
- 186 · 186-187 °C/12 mmHg (lit.)
- Density
- 1.1143 · 1.1143 (rough estimate)
- refractive index
- 1.5444 · 1.5444 (estimate)
- Flash point
- 186 · 186-187°C/12mm
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 1 · pK1:4.529(＋1) (25°C)
- color
- White to Gray to Brown
- BRN
- 107082 · 107082
- InChI
- InChI=1S/C6H7NO/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
- InChIKey
- YBDRFJXGJQULGH-UHFFFAOYSA-N
- SMILES
- C1(=O)NC=CC(C)=C1
- CAS DataBase Reference
- 13466 · 13466-41-6(CAS DataBase Reference)
- FDA UNII
- 7 V4GNL8Z · JE7V4GNL8Z
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333995
- risk_code
- 36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36-22
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Hydroxy-4-methylpyridine is an intermediate used to prepare oxobenzopyrancarboxylate derivatives as inhibitors of serine proteases and human leukocyte elastase. It is also used in the synthesis of (indanylamino)(pyridinyloxy)pyrazines and analogs as corticotropin releasing factor type-1 receptor antagonists.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers103 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司
Related reactions
2 records
Compound notes
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