1-Iodo-2,4,6-trinitrobenzene
Basic information
- CAS
4436-27-5- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(I)c([N+](=O)[O-])c1- InChIKey
ZECBCPLUOMIFAA-UHFFFAOYSA-N- Molecular formula
- C6H2IN3O6
- Average molar mass
- 339 g/mol
- Monoisotopic mass
- 338.89883
Names & identifiers
- Preferred name
- 1-Iodo-2,4,6-trinitrobenzene
- IUPAC
- 2-iodo-1,3,5-trinitrobenzene
- English name
- 1-iodo-2,4,6-trinitrobenzene
- Molecular formula
- C6H2IN3O6
- Molecular weight
- 339.00105
Names & synonyms
Picryl iodide1-Iodo-2,4,6-trinitrobenzeneBenzene, 2-iodo-1,3,5-trinitro-EINECS 224-645-4DTXSID70196146NSC 76678RefChem:76075DTXCID80118637224-645-4ZECBCPLUOMIFAA-UHFFFAOYSA-N2-Iodo-1,3,5-trinitrobenzene4436-27-5
Show more names
NSC-766782-iodo-1,3,5-trinitro-benzeneNSC76678WTS9M3PB8N1-Iodo-2,6--trinitrobenzene2-Jod-1,3,5-trinitrobenzol2-Iodo-1,3,5-trinitrobenzene #AKOS001092691
Database identifiers
- CAS
4436-27-5- PubChem CID
- 78172
- DTXSID
DTXSID70196146- UNII
- WTS9M3PB8N
- EC Number
- 224-645-4
- Nikkaji
- J205.816B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
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Compound notes
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