2-Bromo-N,N-dimethylbenzenamine

C₈H₁₀BrNCAS 698-00-0200.08 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₈H₁₀BrN
Molar mass: 200.08 g/mol
Exact mass: 198.9997 Da
Density: 1.388 g/mL (at 25 °C)
Boiling point: 107–108 °C (at 14 Torr)
logP: 2.52Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled84.8% of notifiers
H301 Toxic if swallowed87% of notifiers
H311 Toxic in contact with skin87% of notifiers
H315 Causes skin irritation10.9% of notifiers
H319 Causes serious eye irritation95.7% of notifiers
H331 Toxic if inhaled87% of notifiers
H351 Suspected of causing cancer87% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure87% of notifiers
H400 Very toxic to aquatic life87% of notifiers
H410 Very toxic to aquatic life with long lasting effects87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

698-00-0

SMILES

CN(C)c1ccccc1Br

InChIKey

ONMSBNJJCUCYED-UHFFFAOYSA-N

InChI

InChI=1S/C8H10BrN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

12 names

Benzenamine, 2-bromo-N,N-dimethyl-
Aniline, o-bromo-N,N-dimethyl-
o-Bromo-N,N-dimethylaniline
2-Bromo-N,N-dimethylaniline
2-(Dimethylamino)bromobenzene
2-(Dimethylamino)phenyl bromide
NSC 33816
N,N-Dimethyl-2-bromoaniline
2-Dimethylamino-1-bromobenzene
2-(N,N-Dimethylamino)bromobenzene
1-Bromo-2-dimethylaminobenzene
(2-Bromophenyl)dimethylamine

Work with 2-Bromo-N,N-dimethylbenzenamine

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

Dimethyl-o-toluidine609-72-352 % similar 2-Chloro-N,N-dimethylbenzenamine698-01-150 % similar 2-Bromo triphenylamine78600-31-450 % similar N,N-Dimethyl-1-naphthylamine86-56-648 % similar 1,8-Bis(dimethylamino)naphthalene20734-58-146 % similar 1,2-Dibromobenzene583-53-945 % similar 5,10-Dihydro-5,10-dimethylphenazine15546-75-543 % similar 1-(2-Bromophenyl)piperazine1011-13-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-1-(3-Bromophenyl)ethylamine139305-96-7 3-Bromo-N,N-dimethylaniline16518-62-0 (R)-1-(3-Bromophenyl)ethanamine176707-77-0 1-(4-Bromophenyl)ethylamine24358-62-1 4-Bromo-2,6-dimethylbenzenamine24596-19-8 (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-1 4-Bromo-2-methylbenzylamine376646-62-7 2-Bromo-4,6-dimethylbenzenamine41825-73-4

Elsewhere

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