5-Bromo-2-fluorobenzylamine hydrochloride

C₇H₈BrClFNCAS 202865-69-8240.50 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₈BrClFN
Molar mass: 240.50 g/mol
Exact mass: 238.9513 Da
logP: 2.47Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

202865-69-8

SMILES

Cl.NCc1cc(Br)ccc1F

InChIKey

KPOKOEWRTGFXDF-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrFN.ClH/c8-6-1-2-7(9)5(3-6)4-10;/h1-3H,4,10H2;1H

Weigh it out

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

Names and synonyms

5 names

Benzenemethanamine, 5-bromo-2-fluoro-, hydrochloride (1:1)
Benzenemethanamine, 5-bromo-2-fluoro-, hydrochloride
(5-Bromo-2-fluorobenzyl)amine hydrochloride
1-(5-Bromo-2-fluorophenyl)methanamine hydrochloride
(5-Bromo-2-fluorophenyl)methanamine hydrochloride

Work with 5-Bromo-2-fluorobenzylamine hydrochloride

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

4-Bromo-2-fluorobenzenemethanamine112734-22-266 % similar 5-Bromo-2-fluorobenzenemethanol99725-13-056 % similar 2,5-Difluorobenzenemethanamine85118-06-555 % similar 5-Chloro-2-fluorobenzylamine261723-26-651 % similar 2-Fluoro-5-(trifluoromethyl)benzylamine199296-61-249 % similar 4-Bromobenzylamine hydrochloride26177-44-648 % similar 1-Bromo-3,4-difluorobenzene348-61-848 % similar (4-Chloro-2-fluorobenzyl)amine hydrochloride202982-63-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-2-fluorobenzylamine hydrochloride147181-08-6

Elsewhere

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