4-Ethoxybenzoyl chloride

C₉H₉ClO₂CAS 16331-46-7184.62 g/mol

Open in Covalent MOL file

Acyl halide Ether

Properties

Molecular formula: C₉H₉ClO₂
Molar mass: 184.62 g/mol
Exact mass: 184.0291 Da
Boiling point: 130–139 °C (at 16 Torr)
logP: 2.46Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

16331-46-7

SMILES

CCOc1ccc(C(=O)Cl)cc1

InChIKey

XLWQUESMILVIPR-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

5 names

Benzoyl chloride, 4-ethoxy-
Benzoyl chloride, p-ethoxy-
m-Ethoxybenzoyl chloride
p-Ethoxybenzoyl chloride
4-Ethoxybenzoic acid chloride

Work with 4-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

4-Butoxybenzoyl chloride33863-86-471 % similar 4-(Hexyloxy)benzoyl chloride39649-71-367 % similar 4-Octyloxybenzoyl chloride40782-53-467 % similar 3-Ethoxybenzoyl chloride61956-65-866 % similar 1-(4-Ethoxyphenyl)ethanone1676-63-761 % similar p-Ethoxybenzamide55836-71-061 % similar 4,4′-Oxydibenzoyl chloride7158-32-960 % similar 4-Methoxybenzoyl chloride100-07-259 % 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 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 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-8

Elsewhere

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