2-Bromobenzylamine hydrochloride

C7H9BrClNCAS 5465-63-4222.51 g/mol

Open in Covalent MOL file
HClH2NBr
Aryl halidePrimary amine

Properties

Molecular formula
C7H9BrClN
Molar mass
222.51 g/mol
Exact mass
220.9607 Da
Melting point
214–220 °C
logP
2.33Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
5465-63-4
SMILES
Cl.NCc1ccccc1Br
InChIKey
MDEJOHXOXKDGOU-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrN.ClH/c8-7-4-2-1-3-6(7)5-9;/h1-4H,5,9H2;1H

Weigh it out

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

Names and synonyms

6 names
  • Benzenemethanamine, 2-bromo-, hydrochloride (1:1)
  • Benzenemethanamine, 2-bromo-, hydrochloride
  • Benzylamine, o-bromo-, hydrochloride
  • o-Bromobenzylamine hydrochloride
  • 1-(2-Bromophenyl)methanamine hydrochloride
  • (2-Bromophenyl)methanamine hydrochloride

Work with 2-Bromobenzylamine 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.

2-Bromobenzylamine3959-05-5Free base

Similar compounds

2-Bromophenethylamine65185-58-254 % similar 2-Phenylbenzylamine hcl854207-87-753 % similar Benzylammonium chloride3287-99-848 % similar 2-Bromobenzyl bromide3433-80-548 % similar 2-Bromo-5-fluorobenzenemethanamine747392-34-347 % similar 2-Bromobenzyl mercaptan143888-85-146 % similar 2-Bromobenzyl alcohol18982-54-246 % similar 1-Bromo-2-ethylbenzene1973-22-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromobenzylamine hydrochloride26177-44-6 3-Bromobenzylamine hydrochloride39959-54-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook