Introduction：Basic information about 4-Iodobenzotrifluoride CAS 455-13-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Iodobenzotrifluoride Basic information
| Product Name: | 4-Iodobenzotrifluoride |
| Synonyms: | P-IODO TRIFLUORO TOLUENE;P-IODOBENZOTRIFLUORIDE;4-Iodobenzotrifluoride,4-Iodo-α,α,α-trifluorotoluene;4-Iodobenzotrifluoride, 97% 1GR;4-Iodobenzotrifluoride, 97% 5GR;1-Iodo-4-(trifluoromethyl)benzene4-Iodo-alpha,alpha,alpha-trifluorotoluene;4-Iodo-alpha,alpha,alpha-trifluorotoluene, 1-Iodo-4-(trifluoromethyl)benzene;Iodine benzotrifluoride |
| CAS: | 455-13-0 |
| MF: | C7H4F3I |
| MW: | 272.01 |
| EINECS: | 207-234-4 |
| Product Categories: | Fluorine Compounds;Iodine Compounds;Fluoro-contained Iodo series |
| Mol File: | 455-13-0.mol |
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4-Iodobenzotrifluoride Chemical Properties
| Melting point | -8.33 °C (lit.) |
| Boiling point | 185-186 °C/745 mmHg (lit.) |
| density | 1.851 g/mL at 25 °C (lit.) |
| refractive index | n20/D 1.516(lit.) |
| Fp | 156 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | Liquid |
| color | Clear pale yellow to yellow or red |
| Specific Gravity | 1.851 |
| Water Solubility | Insoluble in water. |
| Sensitive | Light Sensitive |
| BRN | 1944013 |
| InChI | 1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H |
| InChIKey | UDHAWRUAECEBHC-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccc(I)cc1 |
| CAS DataBase Reference | 455-13-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-iodo-4-(trifluoromethyl)-(455-13-0) |
| EPA Substance Registry System | 4-Iodobenzotrifluoride (455-13-0) |
Safety Information
| Hazard Codes | Xi,T |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39 |
| RIDADR | 1760 |
| WGK Germany | 3 |
| Hazard Note | Toxic/Irritant |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29039990 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
4-Iodobenzotrifluoride Usage And Synthesis
| Chemical Properties | 4-Iodobenzotrifluoride is a clear red to pink liquid with has the odor of halogenated benzene, is insoluble in water, and is miscible with benzene, toluene, ethanol, ether, halogenated hydrocarbons, etc. |
| Uses | 4-Iodobenzotrifluoride may be employed as substrate with electron-deficient aromatic ring, during Mizoroki-Heck reaction with acrylic acid, to afford 4-trifluoromethylcinnnamic acid. It undergoes aminocarbonylation in DMF using phosphoryl chloride to give N,N-dimethyl-(4-trifluoromethyl)benzamide. |
| Preparation | Synthesis of 4-Iodotrifluorotoluene: Prepared by diazotization and iodination of 4-aminobenzotrifluoride or 4-Iodobenzotrifluoride is prepared by direct iodination with trifluorotoluene as raw material. |
| Application | The fluorine atom in the molecular structure of 4-iodotrifluorotoluene makes it have special activity. It is an important pesticide and pharmaceutical intermediate. It can be used as the intermediate of the insecticide fipronil and used for the synthesis of diphenyl ethers containing fluorine herbicide. |
| General Description | 4-Iodobenzotrifluoride undergoes aminocarbonylation in DMF using phosphoryl chloride to give N,N-dimethyl-(4-trifluoromethyl)benzamide. Mechanism of the copper-free Sonogashira cross-coupling reaction of 4-iodobenzotrifluoride with differently para-substituted phenylacetylenes has been investigated. |
4-Iodobenzotrifluoride Preparation Products And Raw materials
| Raw materials | Toluene-->Benzotrifluoride-->BENZYL IODIDE-->BENZYL FLUORIDE |
| Preparation Products | 4-Aminobenzotrifluoride-->4-Trifluoromethylphenol-->4-(TRIFLUOROMETHYL)-ALPHA,ALPHA,ALPHA-TRIFLUOROACETOPHENONE-->4-(TRIFLUOROMETHYL)DIPHENYL ETHER-->3-(TRIFLUOROMETHYL)BENZOPHENONE-->4-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER-->6-METHYL-5-(4-(TRIFLUOROMETHYL)PHENYL)THIAZOLO[3,2-B][1,2,4]TRIAZOLE-->N-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-Urea-->4-iodo-1-methyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrazole |
