401-78-5
3-Bromobenzotrifluoride
CAS: 401-78-5
Molecular Formula: C7H4BrF3
401-78-5 - Names and Identifiers
401-78-5 - Physico-chemical Properties
| Molecular Formula | C7H4BrF3 |
| Molar Mass | 225.01 |
| Density | 1.613g/mLat 25°C(lit.) |
| Melting Point | 1°C |
| Boling Point | 151-152°C(lit.) |
| Flash Point | 110°F |
| Vapor Presure | 4.67mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.613 |
| Color | Clear colorless to slightly yellow |
| BRN | 1449557 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.473(lit.) |
| Physical and Chemical Properties | Boiling Point: 151 - 152 density: 1.613 flash point: 43 |
| Use | Used as pharmaceutical, pesticide intermediates |
401-78-5 - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S16 - Keep away from sources of ignition. S36 - Wear suitable protective clothing. |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| RTECS | XS7970000 |
| TSCA | Yes |
| HS Code | 29036990 |
| Hazard Note | Flammable |
| Hazard Class | 3 |
| Packing Group | III |
401-78-5 - Nature
Open Data Verified Data
colorless transparent liquid. The boiling point is 153.5 ℃, the refractive index is 1. 4347, and the relative density is 1.623. Insoluble in water, soluble in ethanol, ether.
Last Update：2024-01-02 23:10:35
401-78-5 - Preparation Method
Open Data Verified Data
- direct bromination of trifluoromethylbenzene the yield of this process was 80%. Consumption quota: Trifluoromethyl benzene (≥ 98%) 686kg, bromine 114, iron powder 200kg/t.
- diazotization of M-aminotrifluoromethyl benzene
Last Update：2022-01-01 10:41:24
401-78-5 - Use
Open Data Verified Data
mainly used in the production of pesticides, pharmaceuticals, such as synthetic weight loss drugs fenfluramine.
Last Update：2022-01-01 10:41:23
401-78-5 - Safety
Open Data Verified Data
packed in 250kg lined iron drum.
Last Update：2022-01-01 10:41:24
401-78-5 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | is mainly used to produce pesticides and medicines, such as synthetic weight loss drug fenfluramine, etc. Used as an intermediate in medicine and pesticide |
| production method | 1. direct bromination of trifluoromethyl benzene The yield of this method is 80%. Raw material consumption quota: 686 kg/t of trifluoromethylbenzene (≥ 98%), 1142 kg/t of bromine and 200 kg/t of iron powder. 2. It is obtained by diazotization and replacement of m-amino trifluorotoluene. Under stirring, the m-amino trifluorotoluene is slowly added to hydrobromic acid at a temperature not exceeding 50 ℃. Cool, add sodium nitrite solution, and control the temperature below 10 ℃ until the diazotization ends. Add the diazonium solution to the boiled cuprous bromide and hydrobromic acid solution, and start steam distillation to evaporate the organic matter with the steam. Stratify the distillate, take the organic layer, add concentrated sulfuric acid to wash, then wash with water and dilute alkali, and wash with water to neutral. The oil layer is dehydrated with anhydrous calcium chloride, filtered, distilled under reduced pressure, and the fraction at 73-74.5 ℃(6.0kPa) is collected to obtain m-bromotrifluorotoluene. |
| category | toxic substances |
| stimulation data | skin-rabbit 500 mg/24 hours mild; Eye-rabbit 500 mg/24 hours moderate |
| flammability hazard characteristics | Thermal decomposition discharges toxic bromide and chloride fumes |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | water, dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
Last Update：2024-04-09 20:52:54
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