2,4,6-Triiodo-1,3,5-benzenetricarboxylic acid
Basic information
- CAS
79211-41-9- Standard SMILES
O=C(O)c1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I- InChIKey
YLJAKJSGUDBOHG-UHFFFAOYSA-N- Molecular formula
- C9H3I3O6
- Average molar mass
- 587.83 g/mol
- Monoisotopic mass
- 587.7064
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,4,6-Triiodo-1,3,5-benzenetricarboxylic acid
- IUPAC
- 2,4,6-triiodobenzene-1,3,5-tricarboxylic acid
- English name
- 2,4,6-triiodobenzene-1,3,5-tricarboxylic acid
- Molecular formula
- C9H3I3O6
- Molecular weight
- 587.83
Names & synonyms
79211-41-92,4,6-Triiodotrimesic acid2,4,6-Triiodo-1,3,5-benzenetricarboxylic acidJ9Q39HFD58DTXSID90229581RefChem:908706DTXCID40152072279-112-92,4,6-Triiodobenzene-1,3,5-tricarboxylic acid1,3,5-Benzenetricarboxylicacid, 2,4,6-triiodo-MFCD34165644C9H3I3O6
Show more names
1,?3,?5-?Benzenetricarboxylic acid, 2,?4,?6-?triiodo-
EINECS 279-112-9TRIIODOTRIMESIC ACIDorb3215371SCHEMBL4587818YLJAKJSGUDBOHG-UHFFFAOYSA-NDK7576AS-76443SY341103
Database identifiers
- CAS
79211-41-9- PubChem CID
- 133178
- DTXSID
DTXSID90229581- UNII
- J9Q39HFD58
- EC Number
- 279-112-9
- Nikkaji
- J319.245H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 569.7 · 569.7±50.0 °C(Predicted)
- Density
- 3.041 · 3.041±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 0.12 · 0.12±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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