Basic information
- CAS
422-06-0- Standard SMILES
O=CC(F)(F)C(F)(F)F- InChIKey
IRPGOXJVTQTAAN-UHFFFAOYSA-N- Molecular formula
- C3HF5O
- Average molar mass
- 148.03 g/mol
- Monoisotopic mass
- 147.99475546
Names & identifiers
- Preferred name
- Pentafluoropropionaldehyde
- IUPAC
- 2,2,3,3,3-pentafluoropropanal
- English name
- Pentafluoropropionaldehyde hydrate, tech.
- Molecular formula
- C3HF5O
- Molecular weight
- 148.03
Names & synonyms
2,2,3,3,3-PentafluoropropanalPentafluoropropionaldehyde422-06-0Propanal, pentafluoro-PerfluoropropionaldehydePropionaldehyde, pentafluoro-UP47XVV2P8pentafluoropropanalEINECS 207-013-2propanal, 2,2,3,3,3-pentafluoro-Pentafluoropropionaldehyde hydrate, tech.UNII-UP47XVV2P8
Show more names
Pentafluoropropanal hydratePropanal,2,2,3,3,3-pentafluoro-2,2,3,3,3-Pentafluoropropionaldehyde2,2,3,3,3-pentafluoropropanal hydratePentafluoropropionaldehydehydrate,tech.90%
SCHEMBL137007SCHEMBL808892DTXSID601950272,2,3,3,3-Pentafluoropropanal #AKOS009158211NS00043341EN300-364982
Database identifiers
- CAS
422-06-0- PubChem CID
- 67907
- DTXSID
DTXSID60195027- UNII
- UP47XVV2P8
- EC Number
- 207-013-2
- Nikkaji
- J99.963F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 96 · 96-98°C
- refractive index
- 1.322 · 1.322
- FDA UNII
- 47 XVV2P8 · UP47XVV2P8
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- Hazard Note
- Irritant
Safety & regulation
Safety data
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
Chemistry & industry
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Cck Pharmchem Co.,ltd0512-68131995 13862051930
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
4 records
Compound notes
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