2,5-Dimethoxybenzyl chloride

C₉H₁₁ClO₂CAS 3840-27-5186.63 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

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled95.1% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

3840-27-5

SMILES

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

InChIKey

NJBICLSFUUJIDH-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 2,5-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

2,5-Dimethoxybenzenemethanamine3275-95-463 % similar 2,5-Dimethoxybenzyl alcohol33524-31-163 % similar 2C-H3600-86-059 % similar 2-Methoxybenzyl chloride7035-02-158 % similar 2,5-Dimethoxyphenylacetonitrile18086-24-357 % similar 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one62581-82-255 % similar 1,2,4-Trimethoxybenzene135-77-355 % similar 2,5-Dimethoxyphenethylamine hydrochloride3166-74-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Chloromethyl)-2,3-dimethoxybenzene3893-01-4 3,5-Dimethoxybenzyl chloride6652-32-0 Veratryl chloride7306-46-9

Elsewhere

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