CAS 39065-45-7 5-Phenylpyridine-2-carbonitrile (HCID 935276)

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Basic information

CAS: 39065-45-7
Standard SMILES: N#Cc1ccc(-c2ccccc2)cn1
InChIKey: FOMAKWRPGGQFNG-UHFFFAOYSA-N
Molecular formula: C12H8N2
Average molar mass: 180.2 g/mol
Monoisotopic mass: 180.06874826

Names & identifiers

Preferred name: 5-Phenylpyridine-2-carbonitrile
IUPAC: 5-phenylpyridine-2-carbonitrile
English name: 5-Phenylpyridine-2-carbonitrile
Molecular formula: C12H8N2
Molecular weight: 180.21

Names & synonyms

5-phenylpyridine-2-carbonitrile39065-45-75-phenylpicolinonitrileMFCD018762235-Phenyl-2-Pyridinecarbonitrile5-phenyl-pyridine-2-carbonitrile2-Cyano-5-phenylpyridine2-Pyridinecarbonitrile,5-phenyl-2-Pyridinecarbonitrile, 5-phenyl-SCHEMBL70602orb3031438SCHEMBL2182764

Show more names

5-phenyl-2-pyridinemethylnitrile

SCHEMBL3516787SCHEMBL18421975SCHEMBL31588411DTXSID90359054FOMAKWRPGGQFNG-UHFFFAOYSA-NFr12409PBA06545SBB089684

Database identifiers

CAS: 39065-45-7
PubChem CID: 935276
DTXSID: DTXSID90359054

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 222

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point: 93 · 93-94℃
Boiling point: 363 ℃ · 363℃
Density: 1.17 · 1.17
Flash point: 125 ℃ · 125℃
storage temp.: Store at room temperature
pka: -0.7 · -0.70±0.10(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313