Basic information
- CAS
565-65-1- Standard SMILES
C=CC(F)=C(F)F- InChIKey
FWTUDISDSYABRU-UHFFFAOYSA-N- Molecular formula
- C4H3F3
- Average molar mass
- 108.06 g/mol
- Monoisotopic mass
- 108.01868476
Names & identifiers
- Preferred name
- Alkenes, C4-20 alpha-, gamma-omega-perfluoro
- IUPAC
- 1,1,2-trifluorobuta-1,3-diene
- English name
- 1,1,2-Trifluoro-1,3-butadiene
- Molecular formula
- C4H3F3
- Molecular weight
- 108.06
Names & synonyms
EINECS 268-932-2Alkenes, C4-20 alpha-, gamma-omega-perfluoroRefChem:554174268-932-21,1,2-Trifluoro-1,3-butadiene565-65-11,1,2-trifluorobuta-1,3-diene1,1,2-trifluorobutadieneSCHEMBL296909SCHEMBL1375221SCHEMBL1556408DTXSID50971913
Show more names
1,1,2-trifluoro-buta-1,3-diene1,3-Butadiene, 1,1,2-trifluoro-
Database identifiers
- CAS
565-65-1、68155-04-4- PubChem CID
- 109645
- DTXSID
DTXSID50971913- Nikkaji
- J28.332K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 99.5
Physicochemical properties
- Melting point
- -108 °C · -108 °C
- Boiling point
- 8 °C · 8°C
- Density
- 1.089 · 1.089±0.06 g/cm3(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 11 · 11
- Safety Statements
- 9 · 9-16-33
- RIDADR
- 3161 · 3161
- Hazard Note
- Irritant
Safety & regulation
Safety data
- ridadr
- 3161
- risk_code
- 11
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 9-16-33
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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