Introduction：Basic information about 3-METHYLBENZOTRIFLUORIDE CAS 401-79-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-METHYLBENZOTRIFLUORIDE Basic information
| Product Name: | 3-METHYLBENZOTRIFLUORIDE |
| Synonyms: | 1-METHYL-3-TRIFLUOROMETHYL-BENZENE;ALPHA,ALPHA,ALPHA-TRIFLUORO-M-XYLENE;3-(TRIFLUOROMETHYL)TOLUENE;3-METHYLBENZOTRIFLUORIDE;m-Xylene, alpha,alpha,alpha-trifluoro-;3-(Trifluoromethyl)toluene~alpha,alpha,alpha-Trifluoro-m-xylene;3-Methylbenzotrifuoride;3-Methylbenzotrifluoride/3-TrifluoromethylToluene/M-Methylbenzotrifluoride |
| CAS: | 401-79-6 |
| MF: | C8H7F3 |
| MW: | 160.14 |
| EINECS: | 626-022-6 |
| Product Categories: | Trifluoromethylbenzene serise |
| Mol File: | 401-79-6.mol |
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3-METHYLBENZOTRIFLUORIDE Chemical Properties
| Boiling point | 130 °C (lit.) |
| density | 1.148 g/mL at 25 °C (lit.) |
| refractive index | n20/D 1.427(lit.) |
| Fp | 80 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Specific Gravity | 1.148 |
| BRN | 1938201 |
| InChI | 1S/C8H7F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3 |
| InChIKey | VJYXZJGDFJJDGF-UHFFFAOYSA-N |
| SMILES | Cc1cccc(c1)C(F)(F)F |
| CAS DataBase Reference | 401-79-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,F |
| Risk Statements | 36/37/38-10 |
| Safety Statements | 26-36-36/37/39-16 |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| Hazard Note | Flammable |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 2903998090 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
3-METHYLBENZOTRIFLUORIDE Usage And Synthesis
| Uses | 3-Methylbenzotrifluoride is a halogenated organic compound that is a structural component of Nek7 inhibitors, which are used in the preparation of anticancer drugs. |
3-METHYLBENZOTRIFLUORIDE Preparation Products And Raw materials
| Raw materials | Benzene, 1,1'-(1,2-ethanediyl)bis[3-(trifluoromethyl)--->2,4-Dichloro-5-methylbenzotrifluoride-->TRIETHYL(TRIFLUOROMETHYL)SILANE-->3-(Trifluoromethyl)benzyl alcohol-->3-Chloromethyl-benzotrifluoride-->1,3-Bis(trifluoromethyl)-benzene-->3-(Trifluoromethyl)benzaldehyde-->Methyllithium-->3-Iodotoluene-->Sodium trifluoromethanesulfinate-->m-Toluidine-->3-Bromobenzotrifluoride |
| Preparation Products | 4-Methylbenzotrifluoride-->3-(Trifluoromethyl)benzyl bromide-->CHEMPACIFIC 38183 |
