4-Chlorophenyl isocyanide

HCID 74670

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Basic information

CAS: 1885-81-0
Standard SMILES: [C-]#[N+]c1ccc(Cl)cc1
InChIKey: QPPCIPBFKQOIMT-UHFFFAOYSA-N
Molecular formula: C7H4ClN
Average molar mass: 137.56 g/mol
Monoisotopic mass: 137.00322681

Names & identifiers

Preferred name: 4-Chlorophenyl isocyanide
IUPAC: 1-chloro-4-isocyanobenzene
English name: 1-CHLORO-4-ISOCYANOBENZENE
Molecular formula: C7H4ClN
Molecular weight: 137.57

Names & synonyms

1-chloro-4-isocyanobenzene4-Chlorophenyl isocyanideRefChem:522032621-114-21885-81-0BENZENE, 1-CHLORO-4-ISOCYANO-1-Chloro-4-isocyano-benzeneMFCD05664317p-Chlorophenyl isonitrilep-Chlorphenylisocyanid4-Chlor-phenylisocyanid4-chlorophenylisonitrile

Show more names

HANSA ISN-0726BIO-FARMA BF0019494-CHLORPHENYLISOCYANIDEp-Chlorophenyl isocyanideBenzene, 1-chloro-4-isocyano- (9CI)Chlorophenylisocyanate (3,4 -isomer)

4-chlorophenyl-isonitrileSCHEMBL325454DTXSID50172206BAA88581GEO-03705AKOS005144103AKOS015889262MB03556

Database identifiers

CAS: 1885-81-0
PubChem CID: 74670
DTXSID: DTXSID50172206
EC Number: 621-114-2
Nikkaji: J101.240A

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 4.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 127

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 71 · 71-75 °C(lit.)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332-H315-H319-H335-H312-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

wgk: 3
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36
Hazard statements: H332-H315-H319-H335-H312-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501