Basic information
- CAS
2063-40-3- Standard SMILES
O=C(Cl)CCc1c(F)c(F)c(F)c(F)c1F- InChIKey
ZREZSROHRNKDMF-UHFFFAOYSA-N- Molecular formula
- C9H4ClF5O
- Average molar mass
- 258.57 g/mol
- Monoisotopic mass
- 257.9870833
Names & identifiers
- Preferred name
- 3-(Pentafluorophenyl)propanoyl chloride
- IUPAC
- 3-(2,3,4,5,6-pentafluorophenyl)propanoyl chloride
- English name
- 3-(Pentafluorophenyl)propionyl chloride
- Molecular formula
- C9H4ClF5O
- Molecular weight
- 258.57
Names & synonyms
2063-40-33-(pentafluorophenyl)propanoyl chlorideDTXSID20663075RefChem:275795DTXCID306138243-(Pentafluorophenyl)propionyl chloride3-(2,3,4,5,6-pentafluorophenyl)propanoyl chlorideBenzenepropanoyl chloride, 2,3,4,5,6-pentafluoro-MFCD07784269SBB1020693-(Pentafluorophenyl)propionylchloride3-(Perfluorophenyl)propanoyl chloride
Show more names
3-(PENTAFLUOROPHENYL)PROPIONYL CHLORIDE, 97% MIN.
AKOS016015583
Database identifiers
- CAS
2063-40-3- PubChem CID
- 45075657
- DTXSID
DTXSID20663075
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 134.5 · 134.5-135 °C
- Boiling point
- 228.7 · 228.7±40.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
Chemistry & industry
Suppliers3 total
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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