Basic information
- CAS
630-70-6- Standard SMILES
O=[N+]([O-])C(I)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
PVYWOZWHSJHJFC-UHFFFAOYSA-N- Molecular formula
- CIN3O6
- Average molar mass
- 276.93 g/mol
- Monoisotopic mass
- 276.88318
Names & identifiers
- Preferred name
- Iodotrinitromethane
- IUPAC
- iodo(trinitro)methane
- English name
- iodotrinitromethane
- Molecular formula
- CIN3O6
- Molecular weight
- 276.93
Names & synonyms
IodotrinitromethaneMETHANE, IODOTRINITRO-BRN 1787174EINECS 211-143-5DTXSID502122122-01-00-00047 (Beilstein Handbook Reference)RefChem:148571DTXCID50134703211-143-5PVYWOZWHSJHJFC-UHFFFAOYSA-N630-70-6Iodotri(nitro)methane
Show more names
W2RG2WT4QQSCHEMBL9452625NS00041932
Database identifiers
- CAS
630-70-6- PubChem CID
- 12423
- DTXSID
DTXSID50212212- UNII
- W2RG2WT4QQ
- EC Number
- 211-143-5
- Nikkaji
- J1.709D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Chemistry & industry
Suppliers2 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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