2-(4-Chlorophenyl)propiononitrile

HCID 102762

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2184-88-5
Standard SMILES: CC(C#N)c1ccc(Cl)cc1
InChIKey: GIZHRKQXPROIGC-UHFFFAOYSA-N
Molecular formula: C9H8ClN
Average molar mass: 165.62 g/mol
Monoisotopic mass: 165.03452694

Names & identifiers

Preferred name: 2-(4-Chlorophenyl)propiononitrile
IUPAC: 2-(4-chlorophenyl)propanenitrile
English name: 4-CHLORO-ALPHA-METHYLPHENYLACETONITRILE
Molecular formula: C9H8ClN
Molecular weight: 165.62

Names & synonyms

EINECS 218-569-02-(4-Chlorophenyl)propiononitrileRefChem:457423218-569-02-(4-chlorophenyl)propanenitrile2184-88-54-Chloro-alpha-methylphenylacetonitrileMFCD00019809SCHEMBL9097572-(4-chlorophenyl)propionitrileDTXSID10944446alpha-methyl-4-chlorobenzyl cyanide

Show more names

p-Chlorohydratroponitrile2-(p-Chlorophenyl)propionitrileα-Methyl-4-chlorobenzeneacetonitrile4-Chloro-α-methylbenzeneacetonitrileBenzeneacetonitrile, 4-chloro-α-methyl-p-Chlorophenyl-alpha-methylacetonitrileBenzeneacetonitrile, 4-chloro-a-Methyl-

CAA18488AKOS006228867SY401773DB-066635NS00048843EN300-262920G81463Z1198147665

Database identifiers

CAS: 2184-88-5
PubChem CID: 102762
DTXSID: DTXSID10944446
EC Number: 218-569-0
Nikkaji: J299.116K

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 162

Physicochemical properties

Boiling point: 86 · 86-88 °C(Press: 0.6 Torr)
Density: 1.143 · 1.143±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338-P311

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.