Basic information
- CAS
232602-79-8- Standard SMILES
O=C(O)CCC(F)(Cl)C(F)(F)Br- InChIKey
FLKLWPCROADJHL-UHFFFAOYSA-N- Molecular formula
- C5H5BrClF3O2
- Average molar mass
- 269.44 g/mol
- Monoisotopic mass
- 267.91135
Names & identifiers
- Preferred name
- 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid
- IUPAC
- 5-bromo-4-chloro-4,5,5-trifluoropentanoic acid
- English name
- 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid
- Molecular formula
- C5H5BrClF3O2
- Molecular weight
- 269.44
Names & synonyms
5-bromo-4-chloro-4,5,5-trifluoropentanoic acid232602-79-8MFCD00153680Pentanoic acid, 5-bromo-4-chloro-4,5,5-trifluoro-C5H5BrClF3O2SCHEMBL6322207DTXSID60371228FLKLWPCROADJHL-UHFFFAOYSA-NAKOS015833890DB-046116CS-03335275-Bromo-4-chloro-4,5,5-trifluoropentanoic acid, AldrichCPR
Show more names
5-Bromo-4-chloro-4,5,5-trifluoropentanoicacid97%
Database identifiers
- CAS
232602-79-8- PubChem CID
- 2736239
- DTXSID
DTXSID60371228
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 239.6 · 239.6±40.0 °C(Predicted)
- Density
- 1.836 · 1.836±0.06 g/cm3(Predicted)
- pka
- 4.18 · 4.18±0.10(Predicted)
- form
- Solid
- CAS DataBase Reference
- 232602 · 232602-79-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P312
- Hazard Codes
- Xi,C
- Risk Statements
- 36 · 36/37/38-36
- Safety Statements
- 26 · 26-36
- Hazard Note
- Irritant
- HazardClass
- IRRITANT, CORROSIVE
- HS Code
- 2915907098 · 2915907098
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
- 2915907098
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- IRRITANT, CORROSIVE
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P312
Chemistry & industry
Suppliers9 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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