3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-5-phenyl- (9CI)

Modify Date: 2025-09-18 20:05:47

3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-5-phenyl- (9CI) Structure
3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-5-phenyl- (9CI) structure
Common Name 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-5-phenyl- (9CI)
CAS Number 4241-12-7 Molecular Weight 210.23100
Density 1.22g/cm3 Boiling Point 417.4ºC at 760 mmHg
Molecular Formula C13H10N2O Melting Point N/A
MSDS N/A Flash Point 206.3ºC

 Names

Name 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.22g/cm3
Boiling Point 417.4ºC at 760 mmHg
Molecular Formula C13H10N2O
Molecular Weight 210.23100
Flash Point 206.3ºC
Exact Mass 210.07900
PSA 56.65000
LogP 2.22198
Index of Refraction 1.618
InChIKey OEKMRMSCUYJJHJ-UHFFFAOYSA-N
SMILES Cc1[nH]c(=O)c(C#N)cc1-c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT3230000
CHEMICAL NAME :
Nicotinonitrile, 2-hydroxy-6-methyl-5-phenyl-
CAS REGISTRY NUMBER :
4241-12-7
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H10-N2-O
MOLECULAR WEIGHT :
210.25
WISWESSER LINE NOTATION :
T6NJ BQ CCN ER& F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02428

 Safety Information

HS Code 2933399090

 Precursor & DownStream

Precursor  0

DownStream  2

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

NICOTINONITRILE,2-HYDROXY-6-METHYL-5-PHENYL
6-methyl-2-oxo-5-phenyl-1,2-dihydro-3-pyridinecarbonitrile
2-Hydroxy-6-methyl-5-phenylnicotinonitrile
3-cyano-6-methyl-5-phenyl-1H-pyridin-2-one
3-Pyridinecarbonitrile,2-hydroxy-6-methyl-5-phenyl
3-cyano-6-methyl-5-phenyl-2-pyridone
6-methyl-5-phenylpyrid-2-one-3-carbonitrile
3-cyano-5-phenyl-6-methyl-1,2-dihydropyrid-2-one
3-Pyridinecarbonitrile,2-dihydro-6-methyl-2-oxo-5-phenyl
6-methyl-2-oxo-5-phenyl-1,2-dihydropyridine-3-carbonitrile
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