4-Iodobenzotrifluoride#CAS455-13-0
CAS Number:455-13-0
Chemical Formula: C7H4F3I
Synonyms:
Iodine benzotrifluoride
P-IODOBENZOTRIFLUORIDE
4-Iodobenzotrifluoride, 97% 5GR
Appearance:Clear pale yellow to yellow or red Liquid
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
4-Iodobenzotrifluoride#CAS455-13-0
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.
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.
Application of 4-Iodobenzotrifluoride
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.
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.
| 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 | n |
| 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 |
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