3-Chlorophenoxyacetyl chloride

HCID 7010339

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Basic information

CAS: 114476-84-5
Standard SMILES: O=C(Cl)COc1cccc(Cl)c1
InChIKey: KPINZNVDHXIYAR-UHFFFAOYSA-N
Molecular formula: C8H6Cl2O2
Average molar mass: 205.03 g/mol
Monoisotopic mass: 203.97448479

Names & identifiers

Preferred name: 3-Chlorophenoxyacetyl chloride
IUPAC: 2-(3-chlorophenoxy)acetyl chloride
English name: 3-Chlorophenoxyacetyl chloride
Molecular formula: C8H6Cl2O2
Molecular weight: 205.04

Names & synonyms

114476-84-53-CHLOROPHENOXYACETYL CHLORIDEDTXSID10426631RefChem:278619DTXCID403774652-(3-chlorophenoxy)acetyl chloride(3-Chlorophenoxy)acetyl chloride3-CHLOROPHENOXYACETYLCHLORIDEMFCD02094018Acetyl chloride, (3-chlorophenoxy)-SCHEMBL1308577SCHEMBL29590819

Show more names

2-(3-chlorophenoxy)acetylchloride

KPINZNVDHXIYAR-UHFFFAOYSA-NSTR07061AKOS005207009Acetyl chloride, 2-(3-chlorophenoxy)-

Database identifiers

CAS: 114476-84-5
PubChem CID: 7010339
DTXSID: DTXSID10426631
EC Number: 679-124-8

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 161

Physicochemical properties

Boiling point: 120 · 120-122°C/2mm
refractive index: 1.548 · 1.5480
Flash point: 120 · 120-122°C/2mm
Sensitive: Moisture Sensitive
BRN: 1871611 · 1871611
Symbol(GHS): 5 · GHS05
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · 3261
HazardClass: 8 · 8
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

Safety data

ridadr: 3261
risk_code: 34
Symbol(GHS): GHS05
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a