CAS 19358-41-9 2-Chlorophenyl chloroformate (HCID 4184068)

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Basic information

CAS: 19358-41-9
Standard SMILES: O=C(Cl)Oc1ccccc1Cl
InChIKey: PENYBFRQSLVMLW-UHFFFAOYSA-N
Molecular formula: C7H4Cl2O2
Average molar mass: 191.01 g/mol
Monoisotopic mass: 189.9588348

Names & identifiers

Preferred name: 2-Chlorophenyl chloroformate
IUPAC: (2-chlorophenyl) carbonochloridate
English name: 2-Chlorophenyl chloroformate
Molecular formula: C7H4Cl2O2
Molecular weight: 191.01

Names & synonyms

2-Chlorophenyl chloroformate19358-41-9DTXSID60400441RefChem:259541DTXCID10351297626-685-12-Chlorophenyl carbonochloridate(2-chlorophenyl) carbonochloridateMFCD02093716SCHEMBL6956662-Chlorophenylcarbonochloridate2-(chloro)phenyl chloroformate

Show more names

o-Chlorophenyl chloroforMate2-Chlorophenyl chloroformate 97%ChloroforMic acid o-chlorophenyl estercarbonochloridic acid (2-chlorophenyl) ester

PENYBFRQSLVMLW-UHFFFAOYSA-N2-Chlorophenyl chloroformate, 97%GEO-03777AKOS023560170AS-86113EN300-271015H50875

Database identifiers

CAS: 19358-41-9
PubChem CID: 4184068
DTXSID: DTXSID60400441
EC Number: 626-685-1

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Physicochemical properties

Boiling point: 221 °C · 221 °C (lit.)
Density: 1.37 g/mL · 1.37 g/mL at 25 °C (lit.)
vapor pressure: 0.75 psi · 0.75 psi ( 20 °C)
refractive index: 20 · n20/D 1.526(lit.)
Flash point: 230 °F · 230 °F
storage temp.: 2 · 2-8°C
InChI: 1S/C7H4Cl2O2/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4H
InChIKey: PENYBFRQSLVMLW-UHFFFAOYSA-N
SMILES: ClC(=O)Oc1ccccc1Cl
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H314
Precautionary statements: 261 · P261-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE

Safety & regulation

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3277 6.1/PG 2
risk_code: 23/24/25-34
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 23-26-36/37/39-45
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard statements: H301+H311+H331-H314
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
Precautionary statements: P261-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338