Basic information
- CAS
477320-29-9- Standard SMILES
Cc1cc(-c2ccc(F)cc2)[nH]c(=O)c1C#N- InChIKey
IXTCNJCPCQHFLF-UHFFFAOYSA-N- Molecular formula
- C13H9FN2O
- Average molar mass
- 228.22 g/mol
- Monoisotopic mass
- 228.06989108
Names & identifiers
- Preferred name
- 6-(4-Fluorophenyl)-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
- IUPAC
- 6-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
- English name
- 6-(4-Fluorophenyl)-1,2-dihydro-4-methyl-2-oxopyridine-3-carbonitrile
- Molecular formula
- C13H9FN2O
- Molecular weight
- 228.22
Names & synonyms
6-(4-FLUOROPHENYL)-4-METHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILERefChem:539409622-217-5477320-29-96-(4-FLUOROPHENYL)-4-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILEAC1NOFBA6-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrileDTXSID104081996-(4-Fluorophenyl)-2-hydroxy-4-methylpyridine-3-carbonitrileAKOS024407984SALOR-INT L232807-1EA6-(4-Fluorophenyl)-1,2-dihydro-4-methyl-2-oxopyridine-3-carbonitrile
Database identifiers
- CAS
477320-29-9- PubChem CID
- 5087330
- DTXSID
DTXSID10408199- EC Number
- 622-217-5
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
Dr. Jagath Reddy's Heterocyclics[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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