[(4-Chlorophenyl)amino]acetonitrile

HCID 90639

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Basic information

CAS: 24889-92-7
Standard SMILES: N#CCNc1ccc(Cl)cc1
InChIKey: VTYDEWDXIBGHMP-UHFFFAOYSA-N
Molecular formula: C8H7ClN2
Average molar mass: 166.61 g/mol
Monoisotopic mass: 166.0297759

Names & identifiers

Preferred name: [(4-Chlorophenyl)amino]acetonitrile
IUPAC: 2-(4-chloroanilino)acetonitrile
English name: [(4-chlorophenyl)amino]acetonitrile
Molecular formula: C8H7ClN2
Molecular weight: 166.61

Names & synonyms

24889-92-72-[(4-chlorophenyl)amino]acetonitrile[(4-chlorophenyl)amino]acetonitrile2-(4-chloroanilino)acetonitrile((4-Chlorophenyl)amino)acetonitrileMFCD08695331EINECS 246-516-1p-chloroaniline-acetonitrilep-chloroanilino-acetonitrile(4-Chloroanilino)acetonitrile4-chlorophenylaminoacetonitrileSCHEMBL5697708

Show more names

DTXSID40947783ZAA88992AKOS000254386Acetonitrile, 2-[(4-chlorophenyl)amino]-DB-067276CS-0308835NS00050174EN300-135154

Database identifiers

CAS: 24889-92-7
PubChem CID: 90639
DTXSID: DTXSID40947783
EC Number: 246-516-1
Nikkaji: J286.415K

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 55 °C · 55 °C
Boiling point: 129 · 129-133 °C(Press: 0.07 Torr)
Density: 1.274 · 1.274±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 0.66 · 0.66±0.50(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501