1-(Chloromethyl)-2,3-dimethoxybenzene

C₉H₁₁ClO₂CAS 3893-01-4186.63 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

H302 Harmful if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

3893-01-4

SMILES

COC1=CC=CC(=C1OC)CCl

InChIKey

MJRVJLUCLPUZER-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2,3-Dimethoxybenzyl chloride

Work with 1-(Chloromethyl)-2,3-dimethoxybenzene

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

2-Methoxybenzyl chloride7035-02-169 % similar 2,3-Dimethoxybenzylamine4393-09-363 % similar 2,3-Dimethoxybenzyl alcohol5653-67-863 % similar 1,2,3-Trimethoxybenzene634-36-659 % similar 2,3-Dimethoxyphenethylamine3213-29-459 % similar 2,3-Dimethoxyphenylacetic acid90-53-953 % similar 3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-450 % similar 2-(Chloromethyl)-3,4-dimethoxypyridine169905-10-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethoxybenzyl chloride3840-27-5 3,5-Dimethoxybenzyl chloride6652-32-0 Veratryl chloride7306-46-9

Elsewhere

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