Benzoic acid, 2,4-dichloro-5-fluoro-, ethyl ester

HCID 13630722

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Basic information

CAS: 103318-75-8
Standard SMILES: CCOC(=O)c1cc(F)c(Cl)cc1Cl
InChIKey: FHPCKNJINJXSIC-UHFFFAOYSA-N
Molecular formula: C9H7Cl2FO2
Average molar mass: 237.05 g/mol
Monoisotopic mass: 235.98071304

Names & identifiers

Preferred name: Benzoic acid, 2,4-dichloro-5-fluoro-, ethyl ester
IUPAC: ethyl 2,4-dichloro-5-fluorobenzoate
English name: Benzoic acid, 2,4-dichloro-5-fluoro-, ethyl ester
Molecular formula: C9H7Cl2FO2
Molecular weight: 237.06

Names & synonyms

103318-75-8Benzoic acid, 2,4-dichloro-5-fluoro-, ethyl esterRefChem:565294ethyl 2,4-dichloro-5-fluorobenzoate2,4-Dichloro-5-fluorobenzoic acid ethyl esterMFCD06205036ethyl 2,4-dichloro-5-fluoro-benzoateSCHEMBL8335693DTXSID50545451CS-0364943F755432

Database identifiers

CAS: 103318-75-8
PubChem CID: 13630722
DTXSID: DTXSID50545451

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 213

Physicochemical properties

Boiling point: 284.3 · 284.3±40.0 °C(Predicted)
Density: 1.378 · 1.378±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
TSCA: TSCA listed