Basic information
- CAS
695-19-2- Standard SMILES
Cn1ccc(=O)cc1- InChIKey
OYPBUQASUUMJKG-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276384
Names & identifiers
- Preferred name
- N-Methyl-4-pyridone
- IUPAC
- 1-methylpyridin-4-one
- English name
- 1-Methyl-4(1H)-pyridinone
- Molecular formula
- C6H7NO
- Molecular weight
- 109.13
Names & synonyms
695-19-2N-Methyl-4-pyridone4(1H)-Pyridinone, 1-methyl-Z9CD9U6U11RefChem:10919011-Methyl-4(1H)-pyridinone1-Methyl-4-pyridone1-methylpyridin-4-one1-methylpyridin-4(1H)-one1-Methyl-4(1H)-pyridone1-Methyl-4-oxopyridine1-methyl-1,4-dihydropyridin-4-one
Show more names
1-Methylpyridine-4(1H)-one1-Methyl-1,4-dihydropyridine-4-one
1-Methyl-4-pyridinonestarbld0035892UNII-Z9CD9U6U11SCHEMBL1423865SCHEMBL3463933SCHEMBL7055927DTXSID10219727OYPBUQASUUMJKG-UHFFFAOYSA-N
Database identifiers
- CAS
695-19-2- PubChem CID
- 136515
- DTXSID
DTXSID10219727- UNII
- Z9CD9U6U11
- EC Number
- 164-370-6
- Nikkaji
- J149.553D
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 142
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP-1.22
Physicochemical properties
- Melting point
- 92 · 92-98°C (dec.)
- Boiling point
- 204.59 °C · 204.59°C (rough estimate)
- Density
- 1.1143 · 1.1143 (rough estimate)
- refractive index
- 1.518 · 1.5180 (estimate)
- storage temp.
- -20 °C · Amber Vial, Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Solid
- color
- White to Pale Yellow
- Stability
- Hygroscopic
- FDA UNII
- 9 CD9U6U11 · Z9CD9U6U11
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
Uses1-Methyl-4-pyridone is used as a catalyst in acylation reactions as well as in the preparation of phosphorus-containing thiosemicarbazides.
Upstream & downstream products
Downstream products
Suppliers5 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
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