4-Methyl-3-(trifluoromethyl)benzoic acid
- CAS NO.：261952-01-6
- Empirical Formula: C9H7F3O2
- Molecular Weight: 204.15
- MDL number: MFCD01631592
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-05-28 01:59:02
What is 4-Methyl-3-(trifluoromethyl)benzoic acid?
Chemical properties
Light brown solid
The Uses of 4-Methyl-3-(trifluoromethyl)benzoic acid
4-Methyl-3-(trifluoromethyl)benzoic acid, can be used as an intermediate in the synthesis of Bafetinib (B109050), which is a substituted benzamide derivative structurally related to STI-571 (Imatinib Mesylate). It was identified as highly potent Bcr-Abl kinase inhibitor. It is a COVID19-related research product.
Properties of 4-Methyl-3-(trifluoromethyl)benzoic acid
| Melting point: | 182-186°C |
| Boiling point: | 268.6±40.0 °C(Predicted) |
| Density | 1.345±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 3.94±0.10(Predicted) |
| color | White to Almost white |
| CAS DataBase Reference | 261952-01-6(CAS DataBase Reference) |
Safety information for 4-Methyl-3-(trifluoromethyl)benzoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 4-Methyl-3-(trifluoromethyl)benzoic acid
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