1,2,3-Triiodobenzene
Basic information
- CAS
608-29-7- Standard SMILES
Ic1cccc(I)c1I- InChIKey
RIWAPWDHHMWTRA-UHFFFAOYSA-N- Molecular formula
- C6H3I3
- Average molar mass
- 455.8 g/mol
- Monoisotopic mass
- 455.7369
Names & identifiers
- Preferred name
- 1,2,3-Triiodobenzene
- IUPAC
- 1,2,3-triiodobenzene
- English name
- 1,2,3-tribromobenzene
- Molecular formula
- C6H3I3
- Molecular weight
- 455.8
Names & synonyms
1,2,3-TRIIODOBENZENEBenzene, 1,2,3-triiodo-608-29-7DTXSID50209642RefChem:1052015DTXCID00132133TRIIODOBENZENE61878-55-5SCHEMBL38083SCHEMBL395714SCHEMBL457179
Database identifiers
- CAS
608-29-7- PubChem CID
- 11845
- DTXSID
DTXSID50209642- Nikkaji
- J134.630J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.3
Physicochemical properties
- Melting point
- 116 °C · 116°C
- Boiling point
- 381.91 °C · 381.91°C (rough estimate)
- Density
- 2.8493 · 2.8493 (rough estimate)
- refractive index
- 1.807 · 1.8070 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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