2,3,5-Tribromoaniline
Basic information
- CAS
609-17-6- Standard SMILES
Nc1cc(Br)cc(Br)c1Br- InChIKey
BRFIPEIKLLLCJW-UHFFFAOYSA-N- Molecular formula
- C6H4Br3N
- Average molar mass
- 329.81 g/mol
- Monoisotopic mass
- 326.78939
Names & identifiers
- Preferred name
- 2,3,5-Tribromoaniline
- IUPAC
- 2,3,5-tribromoaniline
- English name
- 2,3,5-tribromoaniline
- Molecular formula
- C6H4Br3N
- Molecular weight
- 329.81
Names & synonyms
2,3,5-TribromoanilineEINECS 210-182-549GC5DRZ2F2,3,5-TRIBROMOBENZENAMINEBenzenamine, 2,3,5-tribromo-DTXSID00209733RefChem:81391DTXCID50132224210-182-5609-17-6UNII-49GC5DRZ2F(2,3,5-tribromophenyl)amine
Show more names
SCHEMBL4450031BRFIPEIKLLLCJW-UHFFFAOYSA-NAKOS025132063NS00034497
Database identifiers
- CAS
609-17-6- PubChem CID
- 69106
- DTXSID
DTXSID00209733- UNII
- 49GC5DRZ2F
- EC Number
- 210-182-5
- Nikkaji
- J134.561C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 333.5 · 333.5±37.0 °C(Predicted)
- Density
- 2.351 · 2.351±0.06 g/cm3(Predicted)
- pka
- 0.39 · 0.39±0.10(Predicted)
- FDA UNII
- 49 GC5DRZ2F · 49GC5DRZ2F
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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