402-43-7
4-bromobenzotrifluoride
CAS: 402-43-7
Molecular Formula: C7H4BrF3
402-43-7 - Names and Identifiers
| Name | 4-bromobenzotrifluoride |
| Synonyms | 4-BromobenzotrifL P-BROMOBENZOTRIFLUORIDE 4-bormobenzotrifluoride p-Bromobenzotrifluoride 4-Bromotrifluorotoluene P-BROMOTRIFLUOROTOLUENE 4-bromobenzotrifluoride 4-BroMobenzotrifluroride P-BROMOTRIFLUOROMETHYLBENZENE 4-(Trifluoromethyl)bromobenze P-BROMO-A,A,A-TRIFLUOROTOLUENE The broMine three fluorine toluene 1-bromo-4-(trifluoromethyl)-benzen 1-Bromo-4-(trifluoromethyl)benzene 4-bromo-alpha,alpha,alpha-trifluorotoluene |
| CAS | 402-43-7 |
| EINECS | 206-943-6 |
| InChI | InChI=1/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H |
| InChIKey | XLQSXGGDTHANLN-UHFFFAOYSA-N |
402-43-7 - Physico-chemical Properties
| Molecular Formula | C7H4BrF3 |
| Molar Mass | 225.01 |
| Density | 1.607g/mLat 25°C(lit.) |
| Boling Point | 154-155°C(lit.) |
| Flash Point | 120°F |
| Solubility | Not miscible or difficult to mix. |
| Vapor Presure | 4.072mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.607 |
| Color | Clear colorless to light yellow |
| BRN | 2045666 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.472(lit.) |
| Physical and Chemical Properties | Density 1.6 boiling point 154-155°C refractive index 1.472-1.474 flash point 48°C |
| Use | Used as pharmaceutical, pesticide intermediates |
402-43-7 - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection S16 - Keep away from sources of ignition. |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| TSCA | T |
| HS Code | 29036990 |
| Hazard Note | Flammable |
| Hazard Class | 3 |
| Packing Group | III |
402-43-7 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| uses | p-bromotrifluorotoluene and p-trifluoromethylphenol are important pharmaceutical and pesticide intermediates, which can be widely used in the synthesis of a variety of new anticancer drugs and other drugs, as well as pesticides and herbicides. Used as an intermediate in medicine and pesticide |
| Preparation | Add N-methyl -2-pyrrolidone (NMP)(50 mL) to 1-bromo-4-iodobenzene (1 equivalent, 1278 mg,4.42 mmol), cuprous iodide (I)(1.5 equivalent, 1263 mg,6.63 mmol) and 2-fluorosulfonyl difluoroacetic acid (5 equivalent, 4249 mg,2.82 mL,22.12 mmol). The brown reaction mixture was heated and stirred at 80°C for 16 h under an argon atmosphere. The reaction mixture was diluted with diethyl ether (25 mL) and filtered through diatomite. Water was added to the filtrate and the water layer was extracted with ether (4 × 25 mL). The organic layer was washed with water (2 × 25mL) and brine, dried with MgSO 4, and concentrated under reduced pressure. |
Last Update：2024-04-10 22:29:15
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