3-Bromo-4-methylaniline

C₇H₈BrNCAS 7745-91-7186.05 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: 255.5 °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 skin10.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation89.6% 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, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7745-91-7

SMILES

Cc1ccc(N)cc1Br

InChIKey

GRXMMIBZRMKADT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Benzenamine, 3-bromo-4-methyl-
p-Toluidine, 3-bromo-
3-Bromo-4-methylbenzenamine
3-Bromo-p-toluidine
4-Amino-2-bromotoluene
NSC 139873
3-Bromo-4-methylphenylamine

Work with 3-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

4-Bromo-3-methylaniline6933-10-469 % similar 3,4-Dibromobenzenamine615-55-460 % similar 3,4-Xylidine95-64-760 % similar 2,4-Dibromo-1-methylbenzene31543-75-656 % similar Bromo-p-xylene553-94-656 % similar 2,4-Diaminotoluene95-80-756 % similar 1,5-Dibromo-2,4-dimethylbenzene615-87-254 % similar 3-Iodo-4-methylbenzenamine35944-64-054 % 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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