Chlorobenzilate

C₁₆H₁₄Cl₂O₃CAS 510-15-6325.19 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ester

Properties

Molecular formula: C₁₆H₁₄Cl₂O₃
Molar mass: 325.19 g/mol
Exact mass: 324.0320 Da
Density: 1.28 g/mL
Melting point: 36–37.5 °C
Boiling point: 146–148 °C (at 0.04 Torr)
Water solubility: 13 mg/L (20 °C)
logP: 3.79Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

510-15-6

SMILES

CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChIKey

RAPBNVDSDCTNRC-UHFFFAOYSA-N

InChI

InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

18 names · show all

Benzeneacetic acid, 4-chloro-α-(4-chlorophenyl)-α-hydroxy-, ethyl ester
Benzilic acid, 4,4′-dichloro-, ethyl ester
Akar 338
G 338
Geigy 338
G 23992
Chlorbenzilat
4,4′-Dichlorobenzilic acid ethyl ester
Ethyl 4,4′-dichlorobenzilate
Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate
Akar
Acaraben
Benzilan
Chlorbenzylate
Folbex
Acar
ECB
NSC 404460

Work with Chlorobenzilate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl benzilate52182-15-770 % similar Clofibrate637-07-056 % similar Ethyl 4-chlorobenzoylformate34966-48-850 % similar Ethyl 4-chlorobenzoate7335-27-550 % similar p-Chlorophenylacetic acid ethyl ester14062-24-948 % similar Ethyl α,α-dichlorobenzeneacetate5317-66-847 % similar Etomoxir124083-20-146 % similar 3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester2881-63-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia