3-Fluoro-4-methoxybenzyl chloride

C₈H₈ClFOCAS 351-52-0174.60 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₈H₈ClFO
Molar mass: 174.60 g/mol
Exact mass: 174.0248 Da
logP: 2.57Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals11.1% of notifiers
H302 Harmful if swallowed11.1% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage11.1% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H335 May cause respiratory irritation22.2% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

351-52-0

SMILES

COC1=C(C=C(C=C1)CCl)F

InChIKey

DDAXEANMRGIVDY-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClFO/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5H2,1H3

Weigh it out

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

Work with 3-Fluoro-4-methoxybenzyl 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

Veratryl chloride7306-46-968 % similar 3-Fluoro-4-methoxybenzyl bromide331-61-365 % similar 3,4-Difluorobenzyl chloride698-80-663 % similar 3-Fluoro-4-methoxyphenylacetonitrile404-90-059 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-256 % similar 4-Chloro-2-fluoro-1-methoxybenzene452-09-556 % similar 2,4-Difluoroanisole452-10-855 % similar 2-Fluoro-1,4-dimethoxybenzene82830-49-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(2-Chloro-6-fluorophenyl)ethanol214262-86-9 2-Chloro-6-fluoro-3-methylbenzyl alcohol261762-83-8 6-Chloro-2-fluoro-3-methylbenzyl alcohol261762-84-9

Elsewhere

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