1,1,1-Trifluoro-3-nitropropane
Basic information
- CAS
461-35-8- Standard SMILES
O=[N+]([O-])CCC(F)(F)F- InChIKey
UDLZGFZDVHDXHB-UHFFFAOYSA-N- Molecular formula
- C3H4F3NO2
- Average molar mass
- 143.06 g/mol
- Monoisotopic mass
- 143.01941286
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-3-nitropropane
- IUPAC
- 1,1,1-trifluoro-3-nitropropane
Names & synonyms
1,1,1-trifluoro-3-nitropropane461-35-8DTXSID501306040RefChem:409466DTXCID501736013984-175-7Propane, 1,1,1-trifluoro-3-nitro-1,1,1-trifluoro-3-nitro-propaneSCHEMBL2052281UDLZGFZDVHDXHB-UHFFFAOYSA-NAT46074EN300-1931488
Database identifiers
- CAS
461-35-8- PubChem CID
- 521189
- DTXSID
DTXSID501306040- EC Number
- 984-175-7
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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