4-Bromo-2-methylaniline

C₇H₈BrNCAS 583-75-5186.05 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: 59.5 °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

Warning

H302 Harmful if swallowed91.8% of notifiers
H312 Harmful in contact with skin91.8% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H332 Harmful if inhaled91.8% of notifiers
H335 May cause respiratory irritation87.8% of notifiers

Aggregated from 49 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

583-75-5

SMILES

Cc1cc(Br)ccc1N

InChIKey

PCHYYOCUCGCSBU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Benzenamine, 4-bromo-2-methyl-
o-Toluidine, 4-bromo-
4-Bromo-2-methylbenzenamine
2-Amino-5-bromotoluene
2-Methyl-4-bromoaniline
4-Bromo-o-toluidine
NSC 7093
4-Bromo-2-methylphenylamine

Work with 4-Bromo-2-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

4-Bromobenzene-1,2-diamine1575-37-760 % similar 4-Bromo-o-xylene583-71-160 % similar Tolidine119-93-758 % similar 4-Amino-3-methylphenol2835-99-657 % similar 4-Bromo-2-iodoaniline66416-72-657 % similar 2,4-Dibromoaniline615-57-656 % similar 2,5-Dibromotoluene615-59-856 % similar 2,4-Xylidine95-68-156 % 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 5-Bromo-2,3-dimethylpyridine27063-90-7 3-Bromo-2,4-dimethylpyridine27063-93-0 3-Bromo-2,6-dimethylpyridine3430-31-7 5-Bromo-o-toluidine39478-78-9 2-Bromobenzylamine3959-05-5 4-Bromobenzenemethanamine3959-07-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook