| Identification | More | [Name]
4-Methyl-3-(trifluoromethyl)benzoic acid | [CAS]
261952-01-6 | [Synonyms]
3-TRIFLUOROMETHYL-P-TOLUIC ACID
4-METHYL-3-(TRIFLUOROMETHYL)BENZOIC ACID
MTF-BOA-4ME
RARECHEM AL BO 0960
4-Methyl-3-(Trifluoromethyl)benzoic Acid 3-(Trifluoromethyl)-4-Methylbenzoic Acid
4-Methyl-3-(trifluoromethyl)benzoic acid, 97+%
3-TRIFLUOROMETHYL-4-METHYL BENZOIC ACID,98% | [Molecular Formula]
C9H7F3O2 | [MDL Number]
MFCD01631592 | [Molecular Weight]
204.15 | [MOL File]
261952-01-6.mol |
| Chemical Properties | Back Directory | [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 | [InChI]
InChI=1S/C9H7F3O2/c1-5-2-3-6(8(13)14)4-7(5)9(10,11)12/h2-4H,1H3,(H,13,14) | [InChIKey]
CAPKAYDTKWGFQB-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1 | [CAS DataBase Reference]
261952-01-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,T+ | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R26/27/28:Very Toxic by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes . | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29163100 |
| Hazard Information | Back Directory | [Chemical Properties]
Light brown solid | [Uses]
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. |
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