3,5-Dimethoxybenzyl chloride

C₉H₁₁ClO₂CAS 6652-32-0186.63 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₉H₁₁ClO₂
Molar mass: 186.63 g/mol
Exact mass: 186.0448 Da
logP: 2.44Crippen estimate
Polar surface area: 18.5 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 damage97.5% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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

6652-32-0

SMILES

COC1=CC(=CC(=C1)CCl)OC

InChIKey

CCAWDIFJOBKBSE-UHFFFAOYSA-N

InChI

InChI=1S/C9H11ClO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6H2,1-2H3

Weigh it out

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

Work with 3,5-Dimethoxybenzyl 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-Methoxybenzyl chloride824-98-664 % similar 4-Methoxybenzyl chloride824-94-262 % similar 3,4,5-Trimethoxybenzyl chloride3840-30-057 % similar 1,3,5-Trimethoxybenzene621-23-857 % similar (3,5-Dimethoxyphenyl)methanamine34967-24-356 % similar 3,5-Dimethoxybenzenemethanol705-76-056 % similar 3,5-Dimethoxybenzyl bromide877-88-356 % similar 3,5-Dimethoxyphenylacetonitrile13388-75-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethoxybenzyl chloride3840-27-5 1-(Chloromethyl)-2,3-dimethoxybenzene3893-01-4 Veratryl chloride7306-46-9

Elsewhere

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