Benzyloxyacetyl chloride

C₉H₉ClO₂CAS 19810-31-2184.62 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
logP: 1.97Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

19810-31-2

SMILES

C1=CC=C(C=C1)COCC(=O)Cl

InChIKey

QISAUDWTBBNJIR-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO2/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2

Weigh it out

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

Work with Benzyloxyacetyl 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

(Benzyloxy)acetic acid30379-55-658 % similar Phenylacetyl chloride103-80-057 % similar 2-Phenoxyacetyl chloride701-99-556 % similar Benzenepropanoyl chloride645-45-455 % similar Benzenebutanoyl chloride18496-54-353 % similar Dibenzyl ether103-50-452 % similar Benzyl chloroformate501-53-152 % similar Dibenzyl succinate103-43-548 % 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 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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