2-Ethoxybenzoyl chloride

C9H9ClO2CAS 42926-52-3184.62 g/mol

Open in Covalent MOL file
OOCl
Acyl halideEther

Properties

Molecular formula
C9H9ClO2
Molar mass
184.62 g/mol
Exact mass
184.0291 Da
logP
2.46Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
42926-52-3
SMILES
CCOc1ccccc1C(=O)Cl
InChIKey
MDKAAWDKKBFSTK-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzoyl chloride, 2-ethoxy-
  • Benzoyl chloride, o-ethoxy-
  • o-Ethoxybenzoyl chloride

Work with 2-Ethoxybenzoyl chloride

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

1-(2-Ethoxyphenyl)ethanone2142-67-863 % similar 2-Methoxybenzoyl chloride21615-34-962 % similar 2-Ethoxybenzoic acid134-11-261 % similar Ethyl 2-ethoxybenzoate6290-24-061 % similar Methyl 2-ethoxybenzoate3686-55-359 % similar 2-Ethoxybenzhydrazide21018-13-358 % similar Acetylsalicyloyl chloride5538-51-257 % similar 2-Ethoxy-1-naphthalenecarbonyl chloride55150-29-356 % 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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