4-Bromo-2-fluorobenzylamine hydrochloride

C₇H₈BrClFNCAS 147181-08-6240.50 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

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

147181-08-6

SMILES

Cl.NCc1ccc(Br)cc1F

InChIKey

RTQOFJWBJNVJEO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Benzenemethanamine, 4-bromo-2-fluoro-, hydrochloride (1:1)
Benzenemethanamine, 4-bromo-2-fluoro-, hydrochloride
(4-Bromo-2-fluorophenyl)methanaminium chloride
1-(4-Bromo-2-fluorophenyl)methanamine hydrochloride
(4-Bromo-2-fluorophenyl)methanamine monohydrochloride
(4-Bromo-2-fluorophenyl)methanamine hydrochloride

Work with 4-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Bromo-2-fluorobenzenemethanamine112734-22-2Free base

Similar compounds

(4-Chloro-2-fluorobenzyl)amine hydrochloride202982-63-660 % similar 4-Bromo-2-fluorobenzyl bromide76283-09-558 % similar 4-Bromo-2-fluorobenzyl alcohol188582-62-956 % similar 4-Bromo-2-fluorobenzyl chloride85510-82-356 % similar 2,4-Difluorobenzylamine72235-52-055 % similar 4-Bromo-2-methylbenzylamine376646-62-751 % similar 4-Chloro-2-fluorobenzylamine72235-57-551 % similar 2-(4-Bromo-2-fluorophenyl)acetonitrile114897-91-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-fluorobenzylamine hydrochloride202865-69-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook