Ethyl o-chlorobenzoate

C9H9ClO2CAS 7335-25-3184.62 g/mol

Open in Covalent MOL file
OOCl
Aryl halideEster

Properties

Molecular formula
C9H9ClO2
Molar mass
184.62 g/mol
Exact mass
184.0291 Da
Boiling point
243 °C
logP
2.52Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7335-25-3
SMILES
CCOC(=O)c1ccccc1Cl
InChIKey
RETLCWPMLJPOTP-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3

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Names and synonyms

4 names
  • Benzoic acid, 2-chloro-, ethyl ester
  • Benzoic acid, o-chloro-, ethyl ester
  • Ethyl 2-chlorobenzoate
  • 2-Chlorobenzoic acid ethyl ester

Work with Ethyl o-chlorobenzoate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl phthalate84-66-273 % similar Ethyl 2,5-dichlorobenzoate35112-27-769 % similar Ethyl 2,4-dichlorobenzoate56882-52-169 % similar Ethyl 5-bromo-2-chlorobenzoate76008-73-666 % similar Ethyl 1-naphthalenecarboxylate3007-97-464 % similar Ethyl 2-bromobenzoate6091-64-163 % similar Ethyl 2-methylbenzoate87-24-163 % similar Methyl 2-chlorobenzoate610-96-862 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl m-chlorobenzoate1128-76-3 2-Phenoxypropanoyl chloride122-35-0 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 3-(2-Chlorophenyl)propionic acid1643-28-3 Benzyloxyacetyl chloride19810-31-2 3-(4-Chlorophenyl)propanoic acid2019-34-3 3-(3-Chlorophenyl)propanoic acid21640-48-2

Elsewhere

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