2-Bromo-4-methylaniline

C₇H₈BrNCAS 583-68-6186.05 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₈BrN
Molar mass: 186.05 g/mol
Exact mass: 184.9840 Da
Melting point: 26 °C
Boiling point: 240 °C
logP: 2.34Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.9% of notifiers
H311 Toxic in contact with skin97.9% of notifiers
H315 Causes skin irritation14.6% of notifiers
H319 Causes serious eye irritation14.6% of notifiers
H331 Toxic if inhaled87.5% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

583-68-6

SMILES

Cc1ccc(N)c(Br)c1

InChIKey

UVRRJILIXQAAFK-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BrN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3

Weigh it out

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

Names and synonyms

11 names

Benzenamine, 2-bromo-4-methyl-
p-Toluidine, 2-bromo-
2-Bromo-4-methylbenzenamine
2-Bromo-p-toluidine
2-Bromo-4-toluidine
o-Bromo-p-toluidine
4-Amino-3-bromotoluene
4-Methyl-2-bromoaniline
2-Bromo-4-methylphenylamine
3-Bromo-4-aminotoluene
NSC 7092

Reactions

3-BROMO-4-AMINOTOLUENE (p-Toluidine, 2-bromo-)product

Work with 2-Bromo-4-methylaniline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Diaminotoluene496-72-060 % similar 1,2-Dibromo-4-methylbenzene60956-23-260 % similar Bromo-P-xylene553-94-656 % similar 2,4-Dibromoaniline615-57-656 % similar 2,4-Xylidine95-68-156 % similar 2-Chloro-4-methylaniline615-65-654 % similar 2-Bromo-4-methylanisole22002-45-553 % similar 2-Bromoaniline615-36-152 % similar

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

Same formula

3-Bromobenzylamine10269-01-9 4-Bromo-2,3-dimethylpyridine259807-91-5 3-Bromo-2,4-dimethylpyridine27063-93-0 5-Bromo-2-methylbenzenamine39478-78-9 4-Bromobenzenemethanamine3959-07-7 2-Bromo-3-methylbenzenamine54879-20-8 3-Bromo-2-methylaniline55289-36-6 4-Bromo-2-methylaniline583-75-5

Elsewhere

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