CAS 2040-76-8 N-phenylcarbamoyl chloride (HCID 576741)

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Basic information

CAS: 2040-76-8
Standard SMILES: O=C(Cl)Nc1ccccc1
InChIKey: YSBUANSGDLZTKV-UHFFFAOYSA-N
Molecular formula: C7H6ClNO
Average molar mass: 155.58 g/mol
Monoisotopic mass: 155.0137915

Names & identifiers

Preferred name: N-phenylcarbamoyl chloride
IUPAC: N-phenylcarbamoyl chloride
English name: Carbamic chloride, N-phenyl-
Molecular formula: C7H6ClNO
Molecular weight: 155.58

Names & synonyms

N-phenylcarbamoyl chloride2040-76-8RefChem:830987860-278-1Phenylcarbamic chlorideMFCD24368249phenylcarbamoylchloridPhenylcarbamicchloridePhenylcarbamic chloride #N-phenyl carbamyl chlorideCarbamoyl chloride, phenyl-N-(phenyl)carbamyl chloride

Show more names

Carbamic chloride, N-phenyl-SCHEMBL992038SY359806D86031EN300-267388F841650

Database identifiers

CAS: 2040-76-8
PubChem CID: 576741
EC Number: 860-278-1
Nikkaji: J31.263K

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 121

Physicochemical properties

Density: 1.325 · 1.325±0.06 g/cm3(Predicted)
pka: 9.19 · 9.19±0.70(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H335-H314
Precautionary statements: 260 · P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H335-H314
Precautionary statements: P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501