1-(2-Bromophenyl)piperazine

C₁₀H₁₃BrN₂CAS 1011-13-8241.13 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₃BrN₂
Molar mass: 241.13 g/mol
Exact mass: 240.0262 Da
Boiling point: 109–113 °C (at 0.35 Torr)
logP: 1.86Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

1011-13-8

SMILES

Brc1ccccc1N1CCNCC1

InChIKey

JVTRURBMYILQDA-UHFFFAOYSA-N

InChI

InChI=1S/C10H13BrN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2

Weigh it out

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

Names and synonyms

2 names

Piperazine, 1-(2-bromophenyl)-
Piperazine, 1-(o-bromophenyl)-

Work with 1-(2-Bromophenyl)piperazine

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

1-(2-Fluorophenyl)piperazine1011-15-058 % similar 2-(1-Piperazinyl)phenol1011-17-258 % similar 1-(2-Chlorophenyl)piperazine39512-50-058 % similar 2-Mepp39512-51-158 % similar 1-(1-Naphthyl)piperazine57536-86-456 % similar 1-(2-Cyanophenyl)piperazine111373-03-655 % similar 1-(2-Ethylphenyl)piperazine40224-10-055 % similar 1-(2-Fluorophenyl)piperazine hydrochloride1011-16-153 % similar

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

Same formula

1-(3-Bromophenyl)piperazine31197-30-5 1-(4-Bromophenyl)piperazine66698-28-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook