Basic information
- CAS
1840-42-2- Standard SMILES
O=[N+]([O-])C(F)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
IHOVZLJULZIGOW-UHFFFAOYSA-N- Molecular formula
- CFN3O6
- Average molar mass
- 169.03 g/mol
- Monoisotopic mass
- 168.97711289
Names & identifiers
- Preferred name
- Fluorotrinitromethane
- IUPAC
- fluoro(trinitro)methane
- English name
- Fluorotrinitromethane
- Molecular formula
- CFN3O6
- Molecular weight
- 169.03
Names & synonyms
FluorotrinitromethaneMETHANE, FLUOROTRINITRO-BRN 1911357DTXSID9062017Methane, fluorotrinitroRefChem:140974DTXCID8035849IHOVZLJULZIGOW-UHFFFAOYSA-N1840-42-2fluoro(trinitro)methaneFluoro-trinitro-methaneFluorotri(nitro)methane
Show more names
FluoronitroformF1uorotrinitromethane
SCHEMBL9481115
Database identifiers
- CAS
1840-42-2- PubChem CID
- 15796
- DTXSID
DTXSID9062017- Nikkaji
- J1.784A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitros, Aliphatic
SpringerMaterials PropertiesBoiling point
Physical DescriptionLiquid.
Physicochemical properties
- Melting point
- -28.9 °C · -28.9°C
- Boiling point
- 83.5 °C · 83.5°C (estimate)
- Density
- 1.59 · 1.5900
- EPA Substance Registry System
- Methane, fluorotrinitro- (1840-42-2)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Hazards SummaryIntraperitoneal LD50 (mouse) = 57.3 mg/kg; [RTECS] See Tetranitromethane. See Nitromethane.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethane, fluorotrinitro-: INACTIVE
Related reactions
1 records
Compound notes
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