Veratryl chloride

C₉H₁₁ClO₂CAS 7306-46-9186.63 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
Melting point: 48–49 °C
Boiling point: 152–156 °C
logP: 2.44Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H317 May cause an allergic skin reaction66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

7306-46-9

SMILES

COc1ccc(CCl)cc1OC

InChIKey

WWHJLVMBXXXUFO-UHFFFAOYSA-N

InChI

InChI=1S/C9H11ClO2/c1-11-8-4-3-7(6-10)5-9(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

7 names

Benzene, 4-(chloromethyl)-1,2-dimethoxy-
Toluene, α-chloro-3,4-dimethoxy-
Veratrole, 4-(chloromethyl)-
4-(Chloromethyl)-1,2-dimethoxybenzene
3,4-Dimethoxybenzyl chloride
α-Chloro-3,4-dimethoxytoluene
1-Chloromethyl-3,4-dimethoxybenzene

Work with Veratryl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Fluoro-4-methoxybenzyl chloride351-52-068 % similar 3,4,5-Trimethoxybenzyl chloride3840-30-062 % similar Veratrylamine5763-61-160 % similar Veratrole alcohol93-03-860 % similar Piperonyl chloride20850-43-557 % similar 3,4-Dimethoxyphenethylamine120-20-756 % similar 2-(3,4-Dimethoxyphenyl)ethanol7417-21-256 % similar 4-Methoxybenzyl chloride824-94-255 % 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 3,5-Dimethoxybenzyl chloride6652-32-0

Elsewhere

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