4-Bromo-3-methyl-5-nitroaniline
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Basic information
- CAS
631910-12-8- Standard SMILES
Cc1cc(N)cc([N+](=O)[O-])c1Br- InChIKey
QXHLGNZUABQSAM-UHFFFAOYSA-N- Molecular formula
- C7H7BrN2O2
- Average molar mass
- 231.05 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-3-methyl-5-nitroaniline
- IUPAC
- 4-bromo-3-methyl-5-nitroaniline
- English name
- 4-Bromo-3-methyl-5-nitroaniline
- Molecular formula
- C7H7BrN2O2
- Molecular weight
- 231.05
Names & synonyms
4-bromo-3-methyl-5-nitroaniline631910-12-8SCHEMBL5840087QXHLGNZUABQSAM-UHFFFAOYSA-N4-Bromo-3-methyl-5-nitro-phenylamineBenzenamine, 4-bromo-3-methyl-5-nitro-
Database identifiers
- CAS
631910-12-8
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 107 · 107-108 °C
- Boiling point
- 319.7 · 319.7±37.0 °C(Predicted)
- Density
- 1.698 · 1.698±0.06 g/cm3(Predicted)
- pka
- 2.06 · 2.06±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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