3,5-Bis(trifluoromethyl)benzoic acid
ALDRICH/232882 - 98%
Synonym: 3,5-
CAS Number: 725-89-3
Empirical Formula (Hill Notation): C9H4F6O2
Molecular Weight: 258.12
EC Number: 211-970-1
MDL Number: MFCD00000388
Linear Formula: (CF3)2C6H3CO2H
Product Type: Chemical
| assay | 98% |
| form | solid |
| functional group | carboxylic acid |
| fluoro | |
| InChI | 1S/C9H4F6O2/c10-8(11,12)5 |
| InChI key | HVFQJWGYVXKLTE-UHFFFAOYSA |
| mp | 142-143 °C (lit.) |
| Quality Level | 100 ![]() |
| SMILES string | OC(=O)c1cc(cc(c1)C(F)(F)F |
| General description: | 3,5-Bis(trifluoromethyl)benzoic acid is a significant metabolite formed during metabolism of 3,5-bis(trifluoromethyl)benzyl ether via oxidation. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol | GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 98% |
| mp | 142-143 °C (lit.) |
| UNSPSC | 12352100 |


