Carbonochloridic acid, 2,4,5-trichlorophenyl ester

HCID 85650CAS 16947-69-6

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Basic information

Standard SMILES: O=C(Cl)Oc1cc(Cl)c(Cl)cc1Cl
InChIKey: ZDCIHNWVXROPMN-UHFFFAOYSA-N
Molecular formula: C7H2Cl4O2
Average molar mass: 259.9 g/mol
Monoisotopic mass: 257.88089002

Names & identifiers

Preferred name: Carbonochloridic acid, 2,4,5-trichlorophenyl ester
IUPAC: (2,4,5-trichlorophenyl) carbonochloridate
English name: 2,4,5-trichlorophenyl chloroformate
Molecular formula: C7H2Cl4O2
Molecular weight: 259.9

Names & synonyms

2,4,5-Trichlorophenyl chloroformateCarbonochloridic acid, 2,4,5-trichlorophenyl esterEINECS 241-015-4DTXSID3066136RefChem:123618DTXCID8035425241-015-4ZDCIHNWVXROPMN-UHFFFAOYSA-N16947-69-6(2,4,5-trichlorophenyl) carbonochloridate2,4,5-trichlorophenyl carbonochloridateM5KQG8S8LA

Show more names

Chloroformic acid 2,4,5-trichlorophenyl ester

SCHEMBL227733SCHEMBL297813992,4,5-trichloro-phenylchloroformateAKOS0175506302,4,5-Trichlorophenyl chloridocarbonate #NS00025561EN300-278164

Database identifiers

CAS: 16947-69-6
PubChem CID: 85650
DTXSID: DTXSID3066136
UNII: M5KQG8S8LA
EC Number: 241-015-4
Nikkaji: J318.306H

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 199

Physicochemical properties

EPA Substance Registry System: 2 · Carbonochloridic acid, 2,4,5-trichlorophenyl ester (16947-69-6)
RIDADR: 2742 · 2742
TSCA: TSCA listed
HazardClass: 6.1 · 6.1(a)
PackingGroup: II