3-Phenoxybenzyl chloride

C₁₃H₁₁ClOCAS 53874-66-1218.68 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₃H₁₁ClO
Molar mass: 218.68 g/mol
Exact mass: 218.0498 Da
Boiling point: 135–137 °C (at 3 Torr)
logP: 4.22Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 44 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

53874-66-1

SMILES

ClCc1cccc(Oc2ccccc2)c1

InChIKey

QUYVTGFWFHQVRO-UHFFFAOYSA-N

InChI

InChI=1S/C13H11ClO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2

Weigh it out

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

Names and synonyms

7 names

Benzene, 1-(chloromethyl)-3-phenoxy-
1-(Chloromethyl)-3-phenoxybenzene
m-Phenoxybenzyl chloride
α-Chloro-m-tolyl phenyl ether
3-Phenoxy-α-chlorotoluene
3-Phenoxyphenylmethyl chloride
1-Chloromethyl-3-phenoxybenzene

Work with 3-Phenoxybenzyl 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

3-Phenoxybenzyl alcohol13826-35-261 % similar 3-Phenoxybenzyl bromide51632-16-761 % similar 3-Methoxybenzyl chloride824-98-661 % similar 1,3-Diphenoxybenzene3379-38-258 % similar 1,3-Bis(chloromethyl)benzene626-16-458 % similar (3-Phenoxyphenyl)acetonitrile51632-29-258 % similar Benzyl chloride100-44-754 % similar 3-Methylbenzyl chloride620-19-952 % similar

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

Same formula

4-Chlorobenzhydrol119-56-2 Chlorophene120-32-1 3-Chlorobenzhydrol63012-03-3 4-Benzyloxychlorobenzene7700-27-8

Elsewhere

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