3-(2-Bromo-4-(trifluoromethyl)phenyl)propanoic acid
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Basic information
- CAS
68755-36-2- Standard SMILES
O=C(O)CCc1ccc(C(F)(F)F)cc1Br- InChIKey
VLXQANRLIUVBKP-UHFFFAOYSA-N- Molecular formula
- C10H8BrF3O2
- Average molar mass
- 297.07 g/mol
- Monoisotopic mass
- 295.96598
Names & identifiers
- Preferred name
- 3-(2-Bromo-4-(trifluoromethyl)phenyl)propanoic acid
- IUPAC
- 3-[2-bromo-4-(trifluoromethyl)phenyl]propanoic acid
- English name
- 3-(2-Bromo-4-(trifluoromethyl)phenyl)propanoic acid
- Molecular formula
- C10H8BrF3O2
- Molecular weight
- 297.07
Names & synonyms
3-(2-bromo-4-(trifluoromethyl)phenyl)propanoic acid68755-36-23-[2-bromo-4-(trifluoromethyl)phenyl]propanoic acid3-(2-bromo-4-(trifluoromethyl)phenyl)propanoicacidMFCD18392386SCHEMBL3685960AKOS037649230BS-17420SY264887CS-0161258D81178F547136
Show more names
2-Bromo-4-trifluoromethyl-benzenepropanoic acidBenzenepropanoic acid, 2-bromo-4-(trifluoromethyl)-
Database identifiers
- CAS
68755-36-2- PubChem CID
- 22754129
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 318.1 · 318.1±37.0 °C(Predicted)
- Density
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.49 · 4.49±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Related reactions
10 records
Compound notes
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