Basic information
- CAS
193977-34-3- Standard SMILES
O=C(CBr)c1cc(F)c(F)cc1F- InChIKey
FUXKXNLPKBSNNE-UHFFFAOYSA-N- Molecular formula
- C8H4BrF3O
- Average molar mass
- 253.02 g/mol
- Monoisotopic mass
- 251.93976
Names & identifiers
- Preferred name
- 2,4,5-Trifluorophenacyl bromide
- IUPAC
- 2-bromo-1-(2,4,5-trifluorophenyl)ethanone
- English name
- 2,4,5-Trifluorophenacyl bromid
- Molecular formula
- C8H4BrF3O
- Molecular weight
- 253.02
Names & synonyms
2,4,5-Trifluorophenacyl bromide193977-34-3DTXSID60382490RefChem:245573DTXCID303335152-bromo-1-(2,4,5-trifluorophenyl)ethanoneMFCD073686892-bromo-1-(2,4,5-trifluorophenyl)ethan-1-oneEthanone, 2-bromo-1-(2,4,5-trifluorophenyl)-SCHEMBL2096480FUXKXNLPKBSNNE-UHFFFAOYSA-NSBB101194
Show more names
2,4,5-Trifluorophenacyl bromid2,4,5-Trifluorophenacylbromide98%
AKOS025294819PS-9825CS-02125302-Bromo-1-(2,4,5-trifluorophenyl)ethan-1-one, 2-Bromo-2',4',5'-trifluoroacetophenone
Database identifiers
- CAS
193977-34-3- PubChem CID
- 2783181
- DTXSID
DTXSID60382490
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 254.2 · 254.2±35.0 °C(Predicted)
- Density
- 1.723 · 1.723±0.06 g/cm3(Predicted)
- form
- crystalline powder
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2914790090 · 2914790090
Safety & regulation
Safety data
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
6 records
Compound notes
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