4-Bromo-2-phenylaniline
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Basic information
- CAS
5455-13-0- Standard SMILES
Nc1ccc(Br)cc1-c1ccccc1- InChIKey
QNZCSSKDCUYENG-UHFFFAOYSA-N- Molecular formula
- C12H10BrN
- Average molar mass
- 248.12 g/mol
- Monoisotopic mass
- 246.99966142
Names & identifiers
- Preferred name
- 4-Bromo-2-phenylaniline
- IUPAC
- 4-bromo-2-phenylaniline
- English name
- 4-bromo-2-phenyl aniline
- Molecular formula
- C12H10BrN
- Molecular weight
- 248.12
Names & synonyms
4-bromo-2-phenylaniline5455-13-05-Bromo-2-biphenylamine5-BROMO-[1,1'-BIPHENYL]-2-AMINE4-Bromo-2-phenyl aniline5-bromobiphenyl-2-amine2-phenyl-4-bromoanilineMFCD097543864-bromo-2-phenyl-aniline4-bromo-2-phenylphenylamine5-Bromo-biphenyl-2-ylamineNSC23305
Show more names
-bromo-2-phenyl aniline[1,1'-Biphenyl]-2-amine, 5-bromo-
2-amino-5-bromobiphenylSCHEMBL98306(5-bromobiphenyl-2-yl)amineSCHEMBL6293129SCHEMBL29492487DTXSID702818695-Bromo[1,1'-biphenyl]-2-amineNSC-23305
Database identifiers
- CAS
5455-13-0- PubChem CID
- 229550
- DTXSID
DTXSID70281869- Nikkaji
- J3.367.643C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 57.5 °C · 57.5 °C
- Boiling point
- 328.8 · 328.8±22.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- pka
- 3.11 · 3.11±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
- HS Code
- 2921420090 · 2921420090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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