3-[3-Fluoro-4-(trifluoromethyl)phenyl]propionic acid
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Basic information
- CAS
916420-40-1- Standard SMILES
O=C(O)CCc1ccc(C(F)(F)F)c(F)c1- InChIKey
MZAXOCZCRTUISW-UHFFFAOYSA-N- Molecular formula
- C10H8F4O2
- Average molar mass
- 236.16 g/mol
- Monoisotopic mass
- 236.04604238
Names & identifiers
- Preferred name
- 3-[3-Fluoro-4-(trifluoromethyl)phenyl]propionic acid
- IUPAC
- 3-[3-fluoro-4-(trifluoromethyl)phenyl]propanoic acid
- English name
- 3-[3-Fluoro-4-(trifluoromethyl)phenyl]propionic acid
- Molecular formula
- C10H8F4O2
- Molecular weight
- 236.16
Names & synonyms
916420-40-13-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]PROPIONIC ACID3-[3-fluoro-4-(trifluoromethyl)phenyl]propanoic acid3-(3-Fluoro-4-(trifluoromethyl)phenyl)propanoic acidMFCD090253573-Fluoro-4-(trifluoromethyl)benzenepropanoic acid3-(3-fluoro-4-trifluoromethylphenyl)propionic acidSCHEMBL585165DTXSID301233382SBB098551AKOS015956587AT53668
Show more names
Benzenepropanoic acid, 3-fluoro-4-(trifluoromethyl)-
JS-4543DB-330682EN300-1932966F3426753-(3-Fluoro-4-(trifluoromethyl)phenyl)propanoicacid3-(3-fluoro-4-trifluoromethyl-phenyl)-propionic acid3-[3-Fluoro-4-(trifluoromethyl)-phenyl]propionic acid
Database identifiers
- CAS
916420-40-1- PubChem CID
- 46737488
- DTXSID
DTXSID301233382- EC Number
- 171-302-9
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 282.5 · 282.5±35.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- pka
- 4.46 · 4.46±0.10(Predicted)
- form
- crystalline solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P304+P340-P305+P351+P338-P321-P362+P364
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P304+P340-P305+P351+P338-P321-P362+P364
Suppliers
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Related reactions
2 records
Compound notes
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