Benzoic acid, 2,4-dichloro-, ethyl ester

HCID 42026CAS 56882-52-1

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Basic information

Standard SMILES: CCOC(=O)c1ccc(Cl)cc1Cl
InChIKey: ZBBGAUHWTZKKQQ-UHFFFAOYSA-N
Molecular formula: C9H8Cl2O2
Average molar mass: 219.06 g/mol
Monoisotopic mass: 217.99013486

Names & identifiers

Preferred name: Benzoic acid, 2,4-dichloro-, ethyl ester
IUPAC: ethyl 2,4-dichlorobenzoate
English name: ETHYL 2,4-DICHLOROBENZOATE
Molecular formula: C9H8Cl2O2
Molecular weight: 219.06

Names & synonyms

Ethyl 2,4-dichlorobenzoate56882-52-1Benzoic acid, 2,4-dichloro-, ethyl esterDTXSID10205408RefChem:118295DTXCID70127899ZBBGAUHWTZKKQQ-UHFFFAOYSA-NMFCD00277702Benzoic acid, 2,?4-?dichloro-?, ethyl esterRARECHEM AL BI 0019ethyl 2,4-dichloro-benzoateSCHEMBL522136

Show more names

2,?4-?dichloro-?, ethyl esterBenzoic acid

Ethyl 2,4-dichlorobenzoate #SCHEMBL16050507ETHYL2,4-DICHLOROBENZOATEAKOS002723301AS-16151SY104174DB-026552CS-0343093

Database identifiers

CAS: 56882-52-1
PubChem CID: 42026
DTXSID: DTXSID10205408
Nikkaji: J1.619.546D

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: 184

Physicochemical properties

storage temp.: Store at room temperature
form: liquid
color: Pale yellow
EPA Substance Registry System: 2 · Benzoic acid, 2,4-dichloro-, ethyl ester (56882-52-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
TSCA: TSCA listed
HS Code: 2916399090 · 2916399090