(2,4-Dichlorophenoxy)acetyl chloride

HCID 69887CAS 53056-20-5

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(Cl)COc1ccc(Cl)cc1Cl
InChIKey: FUJSJWRORKKPAI-UHFFFAOYSA-N
Molecular formula: C8H5Cl3O2
Average molar mass: 239.5 g/mol
Monoisotopic mass: 237.93551244

Names & identifiers

Preferred name: (2,4-Dichlorophenoxy)acetyl chloride
IUPAC: 2-(2,4-dichlorophenoxy)acetyl chloride
English name: 2-(2,6-DICHLOROPHENOXY)ACETYL CHLORIDE
Molecular formula: C8H5Cl3O2
Molecular weight: 239.48

Names & synonyms

(2,4-Dichlorophenoxy)acetyl chloride774-74-32-(2,4-dichlorophenoxy)acetyl chlorideEINECS 212-268-8RefChem:394573DTXCID601395149212-268-8DTXSID509675532,4-Dichlorophenoxyacetyl chlorideAcetyl chloride, (2,4-dichlorophenoxy)-MFCD000452252,4-dichlorophenoxy acetyl chloride

Show more names

-(2,6-dichlorophenoxy)acetyl chloride2-(2,6-DICHLOROPHENOXY)ACETYL CHLORIDEAcetyl chloride, 2-(2,4-dichlorophenoxy)-2-(2,6-DICHLOROPHENOXY)ACETYL CHLORIDE ISO 9001：2015 REACH2-(2,4-dichlorophenoxy)acetyl chloride2-(2,4-dichlorophenoxy)acetyl chloride

2,4-Dichlorophenoxyacetic acid chloride(2,4-Dichloro-phenoxy)-acetyl chlorideSCHEMBL25389112,4 dichlorophenoxyacetyl chlorideALBB-011213STR07073BBL013924SBB017185

Database identifiers

CAS: 53056-20-5、774-74-3
PubChem CID: 69887
DTXSID: DTXSID50967553
EC Number: 212-268-8
Nikkaji: J99.845A

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 186

Physicochemical properties

Melting point: 52.5 · 52.5-53.5 °C(Solv: ligroine (8032-32-4))
Boiling point: 155 · 155-157 °C(Press: 22-23 Torr)
Density: 1.475 · 1.475±0.06 g/cm3(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H312-H314-H332
Precautionary statements: 260 · P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
HS Code: 2918999090 · 2918999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2918999090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H312-H314-H332
Precautionary statements: P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501