Ethyl α,α-dichlorobenzeneacetate

C10H10Cl2O2CAS 5317-66-8233.09 g/mol

Open in Covalent MOL file
OOClCl
Alkyl halideEster

Properties

Molecular formula
C10H10Cl2O2
Molar mass
233.09 g/mol
Exact mass
232.0058 Da
Boiling point
156 °C (at 24 Torr)
logP
2.88Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
5317-66-8
SMILES
CCOC(=O)C(Cl)(Cl)c1ccccc1
InChIKey
XNQDHXMQDHWHRU-UHFFFAOYSA-N
InChI
InChI=1S/C10H10Cl2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3

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Names and synonyms

4 names
  • Benzeneacetic acid, alpha,alpha-dichloro-, ethyl ester
  • Benzeneacetic acid, α,α-dichloro-, ethyl ester
  • Acetic acid, dichlorophenyl-, ethyl ester
  • Ethyl 2,2-dichloro-2-phenylacetate

Work with Ethyl α,α-dichlorobenzeneacetate

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 2-phenylisobutyrate2901-13-564 % similar (Alpha,alpha-difluoro)phenylacetic acid ethyl ester2248-46-662 % similar Ethyl benzilate52182-15-762 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-562 % similar Ethyl α-cyano-α-ethylbenzeneacetate718-71-856 % similar Ethyl trichloroacetate515-84-450 % similar N-(Triphenylmethyl)glycine ethyl ester18514-46-048 % similar Chlorobenzilate510-15-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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