Benzyl chloromethyl ether

C₈H₉ClOCAS 3587-60-8156.61 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₉ClO
Molar mass: 156.61 g/mol
Exact mass: 156.0342 Da
Density: 1.135 g/mL (at 20 °C)
Boiling point: 103 °C (at 13 Torr)
logP: 2.40Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed97.7% of notifiers
H315 Causes skin irritation11.4% of notifiers
H318 Causes serious eye damage97.7% of notifiers
H331 Toxic if inhaled11.4% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

3587-60-8

SMILES

ClCOCc1ccccc1

InChIKey

LADPCMZCENPFGV-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClO/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H2

Weigh it out

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

Names and synonyms

7 names

Benzene, [(chloromethoxy)methyl]-
Ether, benzyl chloromethyl
[(Chloromethoxy)methyl]benzene
Benzyloxymethyl chloride
Chloromethyl benzyl ether
Chloromethyl phenylmethyl ether
BOMCl

Reactions

BENZYL CHLOROMETHYL ETHER (Benzene, (chloromethyoxy)methyl-)product

Work with Benzyl chloromethyl ether

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

Dibenzyl ether103-50-467 % similar Benzyl 2-chloroethyl ether17229-17-362 % similar Benzyl 2-bromoethyl ether1462-37-950 % similar 2-(Benzyloxy)ethanamine38336-04-850 % similar 2-(Benzyloxy) ethanol622-08-250 % similar Benzyloxyacetyl chloride19810-31-248 % similar Allyl benzyl ether14593-43-248 % similar (-)-Benzyl (R)-glycidyl ether14618-80-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-2,6-dimethylphenol1123-63-3 (1R)-1-(3-Chlorophenyl)ethanol120121-01-9 (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-2 (S)-1-(2-Chlorophenyl)ethanol131864-71-6 1-Chloro-4-methoxy-2-methylbenzene13334-71-9 (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-5 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9

Elsewhere

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