2-Chloro-6-fluorobenzyl bromide

C₇H₅BrClFCAS 68220-26-8223.47 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₅BrClF
Molar mass: 223.47 g/mol
Exact mass: 221.9247 Da
logP: 3.37Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage14.9% of notifiers
H315 Causes skin irritation85.1% of notifiers
H319 Causes serious eye irritation87.2% of notifiers
H335 May cause respiratory irritation87.2% of notifiers

Aggregated from 47 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+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

68220-26-8

SMILES

C1=CC(=C(C(=C1)Cl)CBr)F

InChIKey

IGUVNNXFTDCASP-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrClF/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

Weigh it out

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

Work with 2-Chloro-6-fluorobenzyl bromide

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

2,6-Difluorobenzyl bromide85118-00-972 % similar 2,6-Dichlorobenzyl bromide20443-98-568 % similar 2-Chloro-6-fluorobenzyl chloride55117-15-262 % similar 2-(Bromomethyl)-4-chloro-1,3-difluorobenzene261762-47-461 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-960 % similar 2-Chloro-6-fluorobenzylthiol170924-52-460 % similar 2-Chloro-6-fluorobenzenemethanol56456-50-960 % similar 2-(Bromomethyl)-3-chloro-1,4-difluorobenzene90292-67-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-fluorobenzyl bromide192702-01-5 1-Bromo-2-chloro-5-fluoro-4-methylbenzene201849-17-4 1-Bromo-2-chloro-4-fluoro-5-methylbenzene201849-18-5 1-Bromo-2-chloro-4-fluoro-3-methylbenzene203302-92-5 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-3 2-Chloro-4-fluorobenzyl bromide45767-66-6 1-(Bromomethyl)-3-chloro-5-fluorobenzene493024-39-8 4-Chloro-2-fluorobenzyl bromide71916-82-0

Elsewhere

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