CAS 41935-71-1 4-hydroxy-5-methylpyridin-2(1H)-one (HCID 54720146)

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Basic information

CAS: 41935-71-1
Standard SMILES: Cc1c[nH]c(=O)cc1O
InChIKey: DOTGZUGIZALMLZ-UHFFFAOYSA-N
Molecular formula: C6H7NO2
Average molar mass: 125.13 g/mol
Monoisotopic mass: 125.04767847

Names & identifiers

Preferred name: 4-hydroxy-5-methylpyridin-2(1H)-one
IUPAC: 4-hydroxy-5-methyl-1H-pyridin-2-one
English name: 2(1H)-Pyridinone,4-hydroxy-5-methyl-(9CI)
Molecular formula: C6H7NO2
Molecular weight: 125.13

Names & synonyms

41935-71-14-hydroxy-5-methylpyridin-2(1H)-one4-hydroxy-5-methyl-2(1H)-pyridinoneDTXSID50716245RefChem:523885DTXCID30666991810-289-25-methylpyridine-2,4-diol2(1H)-PYRIDINONE,4-HYDROXY-5-METHYL-(9CI)4-hydroxy-5-methyl-1H-pyridin-2-oneMFCD179265342,4-Dihydroxy-5-methylpyridine

Show more names

Deferiprone Impurity 8Fineridone Impurity 40Finerenone Impurity SM03-1

2(1H)-Pyridinone, 4-hydroxy-5-methyl-Felodipine Impurity 195-Methyl-pyridine-2,4-diolSCHEMBL2333284SCHEMBL26695914-hydroxy-5-methyl-2-pyridone4-hydroxy-5-methylpyrid-2-one2,3-Dihydroxy-5-methylpyridine

Database identifiers

CAS: 41935-71-1
PubChem CID: 54720146
DTXSID: DTXSID50716245
EC Number: 810-289-2
Nikkaji: J2.894.455A

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 203

Physicochemical properties

Boiling point: 306.2 · 306.2±42.0 °C(Predicted)
Density: 1.269 · 1.269±0.06 g/cm3(Predicted)
pka: 4.5 · 4.50±1.00(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 335 · H335-H319-H315-H301
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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. For more detailed information, please visit ECHA C&L website.