4-Iodobenzotrifluoride
Synonym(s):4-Iodo-α,α,α-trifluorotoluene
- CAS NO.:455-13-0
- Empirical Formula: C7H4F3I
- Molecular Weight: 272.01
- MDL number: MFCD00039398
- EINECS: 207-234-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-01-27 09:38:02
What is 4-Iodobenzotrifluoride?
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.
The Uses 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.
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.
What are the applications of 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.
Properties of 4-Iodobenzotrifluoride
| 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 |
| Flash point: | 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 |
| 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 for 4-Iodobenzotrifluoride
| Signal word | Warning |
| Pictogram(s) |
![]() Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Iodobenzotrifluoride
| InChIKey | UDHAWRUAECEBHC-UHFFFAOYSA-N |
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