2-Bromo-4,6-dimethylbenzenamine

C₈H₁₀BrNCAS 41825-73-4200.08 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₁₀BrN
Molar mass: 200.08 g/mol
Exact mass: 198.9997 Da
Melting point: 49–50 °C
logP: 2.65Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed14.9% of notifiers
H312 Harmful in contact with skin14.9% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled14.9% of notifiers
H335 May cause respiratory irritation87.2% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure10.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, 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

41825-73-4

SMILES

Cc1cc(C)c(N)c(Br)c1

InChIKey

YOSJCQJJIHEUKA-UHFFFAOYSA-N

InChI

InChI=1S/C8H10BrN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Benzenamine, 2-bromo-4,6-dimethyl-
2,4-Xylidine, 6-bromo-
6-Bromo-2,4-xylidine
2-Bromo-4,6-dimethylaniline
NSC 159243
NSC 99447

Work with 2-Bromo-4,6-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

2,6-Dibromo-4-methylaniline6968-24-775 % similar 2,4,6-Trimethylaniline88-05-167 % similar 2-Bromo-4-fluoro-6-methylbenzenamine202865-77-860 % similar 2-Bromo-6-methylaniline53848-17-252 % similar 2-Bromo-6-methyl-4-nitroaniline102170-56-950 % similar 2-Amino-3-bromo-5-methylbenzoic acid13091-43-550 % similar 3,5-Dibromo-4-iodotoluene175278-10-150 % similar 2-Bromo-4-methyl-6-nitrobenzenamine827-24-750 % 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 4-Bromo-2-ethylaniline45762-41-2

Elsewhere

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