Introduction：Basic information about 3-(Trifluoromethyl)benzonitrile CAS 368-77-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-(Trifluoromethyl)benzonitrile Basic information
| Product Name: | 3-(Trifluoromethyl)benzonitrile |
| Synonyms: | M-(TRIFLUOROMETHYL)BENZONITRILE;A,A,A-TRIFLUORO-M-TOLUNITRILE;ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUNITRILE;3-CYANOBENZOTRIFLUORIDE;3-(TRIFLUOROMETHYL)BENZONITRILE;3-(TrifluoroMethyl)benzonitrile, 97+%;3-Cya;Benzonitrile, 3-(trifluoromethyl)- |
| CAS: | 368-77-4 |
| MF: | C8H4F3N |
| MW: | 171.12 |
| EINECS: | 206-711-4 |
| Product Categories: | Fluorine series;Nitrile;Benzotrifluoride Series;Aromatic Nitriles |
| Mol File: | 368-77-4.mol |
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3-(Trifluoromethyl)benzonitrile Chemical Properties
| Melting point | 16-20 °C(lit.) |
| Boiling point | 189 °C(lit.) |
| density | 1.281 g/mL at 25 °C(lit.) |
| refractive index | n20/D 1.4575(lit.) |
| Fp | 162 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to lump to clear liquid |
| color | White or Colorless to Almost white or Almost colorless |
| Sensitive | Lachrymatory |
| BRN | 1868102 |
| InChI | 1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H |
| InChIKey | OGOBINRVCUWLGN-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1cccc(c1)C#N |
| CAS DataBase Reference | 368-77-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-(CF3)-C6H4-CN(368-77-4) |
| EPA Substance Registry System | 3-(Trifluoromethyl)benzonitrile (368-77-4) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/38 |
| Safety Statements | 45-36-36/37-26 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| Hazard Note | Lachrymatory |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269095 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Oral
STOT SE 3 |
3-(Trifluoromethyl)benzonitrile Usage And Synthesis
| Chemical Properties | Colorless to light yellow liquid |
| Uses | 3-(trifluoromethyl)-Benzonitrile is a useful chemical reagent. It has been employes in the validation of QSAR model for acute toxicity to the fathead minnow (Pimephales promelas). |
| Uses | 3-(Trifluoromethyl)benzonitrile (α, α, α -trifluoro-m-tolunitrile) was used as a reference compound in the determination of the electron affinity of 1,3,5,7-cyclooctatetraene (COT). |
3-(Trifluoromethyl)benzonitrile Preparation Products And Raw materials
| Preparation Products | PERFLUORO-1,3-DIMETHYLCYCLOHEXANE-->5-(TRIFLUOROMETHYL)-2-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZONITRILE-->3-(TRIFLUOROMETHYL)BENZOPHENONE-->3,3'-BIS(TRIFLUOROMETHYL)BENZOPHENONE-->3'-(TRIFLUOROMETHYL)PROPIOPHENONE-->3-(Trifluoromethyl)benzylamine-->3-(TRIFLUOROMETHYL)PHENETHYLAMINE-->Benzoic acid, 2-cyano-4-(trifluoromethyl)- |
