chempirical

3-Bromo-4-methylaniline

C7H8BrNCAS 7745-91-7186.05 g/mol

Open in Covalent MOL file
NH2Br
Aryl halidePrimary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

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 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 2-Bromo-4-methylaniline583-68-6

Elsewhere

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