3-Iodobenzotrifluoride
ALDRICH/206563 - 98%
Synonym: 3-Iodo-α,α,α-trifluorotoluene
CAS Number: 401-81-0
Empirical Formula (Hill Notation): C7H4F3I
Molecular Weight: 272.01
EC Number: 206-934-7
MDL Number: MFCD00001049
Linear Formula: IC6H4CF3
Product Type: Chemical
| assay | 98% |
| bp | 82-82.5 °C/25 mmHg (lit.) |
| density | 1.887 g/mL at 25 °C (lit.) |
| functional group | fluoro |
| iodo | |
| InChI | 1S/C7H4F3I/c8-7(9,10)5-2- |
| InChI key | IGISPMBUGPHLBY-UHFFFAOYSA |
| Quality Level | 100 ![]() |
| refractive index | n |
| SMILES string | FC(F)(F)c1cccc(I)c1 |
| Application: | 3-Iodobenzotrifluoride was used in the preparation of zinc 5,10,15,20-tetrakis(3-(trifluoromethyl)pheny |
| General description: | Sonogashira coupling reaction between 3-iodobenzotrifluoride and phenylacetylene using a palladium system has been reported. |
| Packaging: | 25 g in glass bottle |
| Symbol | GHS05 |
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P280 - P305 + P351 + P338 - P310 |
| Hazard Codes | C |
| Risk Statements | 34 |
| Safety Statements | 26-27-36/37/39-45 |
| RIDADR | UN 3265 8 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 158.0 °F - closed cup |
| Flash Point(C) | 70 °C - closed cup |
| Purity | 98% |
| bp | 82-82.5 °C/25 mmHg (lit.) |
| Density | 1.887 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |


