(1,1'-Biphenyl)-4,4'-diamine, 3-bromo-
Basic information
- CAS
108238-11-5- Standard SMILES
Nc1ccc(-c2ccc(N)c(Br)c2)cc1- InChIKey
HRDVSBWJVVGOAT-UHFFFAOYSA-N- Molecular formula
- C12H11BrN2
- Average molar mass
- 263.13 g/mol
- Monoisotopic mass
- 262.01056
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4,4'-diamine, 3-bromo-
- IUPAC
- 4-(4-aminophenyl)-2-bromoaniline
- English name
- 4-(4-aminophenyl)-2-bromo-aniline
- Molecular formula
- C12H11BrN2
- Molecular weight
- 263.13
Names & synonyms
108238-11-54-(4-aminophenyl)-2-bromoaniline(1,1'-BIPHENYL)-4,4'-DIAMINE, 3-BROMO-3-BROMO-[1,1'-BIPHENYL]-4,4'-DIAMINE3-Bromo-(1,1'-biphenyl)-4,4'-diamine3-BromobenzidineBRN 28050624-(4-AMINOPHENYL)-2-BROMO-ANILINE4-13-00-00386 (Beilstein Handbook Reference)SCHEMBL7709320DTXSID901484653-Bromo[1,1'-biphenyl]-4,4'-diamine
Show more names
[1,1'-Biphenyl]-4,4'-diaMine, 3-broMo-
Database identifiers
- CAS
108238-11-5- PubChem CID
- 60225
- DTXSID
DTXSID90148465- Nikkaji
- J3.808.731B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 378.9 · 378.9±27.0 °C(Predicted)
- Density
- 1.499 · 1.499±0.06 g/cm3(Predicted)
- pka
- 4.34 · 4.34±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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