4-Bromo-3-methylaniline

C₇H₈BrNCAS 6933-10-4186.05 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: 81 °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 irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled91.8% of notifiers
H335 May cause respiratory irritation89.8% 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

6933-10-4

SMILES

Cc1cc(N)ccc1Br

InChIKey

MMEGELSFOYDPQW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Benzenamine, 4-bromo-3-methyl-
m-Toluidine, 4-bromo-
4-Bromo-3-methylbenzenamine
5-Amino-2-bromotoluene
4-Bromo-m-toluidine
3-Methyl-4-bromoaniline

Work with 4-Bromo-3-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-Bromo-4-methylaniline7745-91-769 % similar 3,4-Dibromobenzenamine615-55-460 % similar 3,4-Xylidine95-64-760 % similar 4-Bromo-3,5-dimethylaniline59557-90-358 % similar 2,2′-Dimethylbenzidine84-67-358 % similar 1-Bromo-2,4-dimethylbenzene583-70-056 % similar 2,5-Dibromotoluene615-59-856 % similar 2,5-Diaminotoluene95-70-556 % 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

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