2,2,3,3-Tetrafluoropropionitrile
Basic information
- CAS
431-32-3- Standard SMILES
N#CC(F)(F)C(F)F- InChIKey
PIORIRQBACOORT-UHFFFAOYSA-N- Molecular formula
- C3HF4N
- Average molar mass
- 127.04 g/mol
- Monoisotopic mass
- 127.00451168
Names & identifiers
- Preferred name
- 2,2,3,3-Tetrafluoropropionitrile
- IUPAC
- 2,2,3,3-tetrafluoropropanenitrile
- English name
- 2,3,3,3-Tetrafluoropropionitrile
- Molecular formula
- C3HF4N
- Molecular weight
- 127.04
Names & synonyms
2,2,3,3-Tetrafluoropropionitrile2,2,3,3-tetrafluoropropanenitrileSCHEMBL10864849DTXSID00962891PIORIRQBACOORT-UHFFFAOYSA-NPropanenitrile, 2,3,3,3-tetrafluoro-2,3,3,3-Tetrafluoropropionitrile2,3,3,3-TETRAFLUOROPROPANENITRILE2,3,3,3-Tetrafluoropropionitrile97%2,3,3,3-Tetrafluoropropionitrile 97%2,3,3,3-TETRAFLUOROPROPANENITRILE 97%
Database identifiers
- CAS
431-32-3- PubChem CID
- 136275
- DTXSID
DTXSID00962891- Nikkaji
- J1.050.024I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 40 °C · 40 °C
- Density
- 1.362 · 1.362
- refractive index
- 1.27 · 1.27
- CAS DataBase Reference
- 431 · 431-32-3(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H301-H315-H319-H336
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
- Hazard Codes
- T,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 23 · 23-36/37/39-45
- RIDADR
- 3276 · 3276
- Hazard Note
- Toxic
- HazardClass
- IRRITANT-HARMFUL
- HS Code
- 2926907090 · 2926907090
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
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,Xi
- hazard_note
- Toxic
- safety_code
- 23-36/37/39-45
- hazard_class
- IRRITANT-HARMFUL
- Hazard statements
- H335-H301-H315-H319-H336
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
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Compound notes
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