3-三氟甲基-4-氯苄溴

3-三氟甲基-4-氯苄溴 - Names and Identifiers

Name	4-Chloro-3-(trifluoromethyl)benzyl bromide
Synonyms	SIPO-025 FXFFR BG E1E FXFFE BG E1E 3-Trifluoromethyl-4-chlorobenzylbromide 3-Trifluoromethyl-4-chlorobenzyl bromide 4-Chloro-3-(trifluoromethyl)benzyl bromide 4-Bromomethyl-1-chloro-2-trifluoromethylbenzene 4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene Benzene, 4-(bromomethyl)-1-chloro-2-(trifluoromethyl)- 5-(Bromomethyl)-2-chlorobenzotrifluoride, 4-(Bromomethyl)-1-chloro-2-(trifluoromethyl)benzene
CAS	261763-23-9
InChI	InChI=1/C8H5BrClF3/c9-4-5-1-2-7(10)6(3-5)8(11,12)13/h1-3H,4H2

3-三氟甲基-4-氯苄溴 - Physico-chemical Properties

Molecular Formula	C8H5BrClF3
Molar Mass	273.48
Density	1.663
Melting Point	36-40℃
Boling Point	234℃
Flash Point	95℃
Vapor Presure	0.0831mmHg at 25°C
Storage Condition	under inert gas (nitrogen or Argon) at 2–8 °C
Refractive Index	1.505
MDL	MFCD01631540

3-三氟甲基-4-氯苄溴 - Risk and Safety

Hazard Symbols	C - Corrosive
Risk Codes	R34 - Causes burns 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
UN IDs	1760
Hazard Class	8
Packing Group	III

3-三氟甲基-4-氯苄溴 - Introduction

4-choro-3-(trifluoromethyl)benzyl bromide is an organic compound with the chemical formula C8H6BrClF3.

Nature:
-Appearance: White crystalline solid
-Melting point: 50-52 ° C
-Boiling Point: 183-184 ° C
-Density: 1.8g/cm³
-Solubility: Soluble in organic solvents such as ethanol and dimethyl sulfoxide, insoluble in water
-the main risk: irritant to the eyes, skin and respiratory system, for irritating substances

Use:
- 4-Chloro-3-(trifluoromethyl)benzyl bromide is commonly used as a reagent in organic synthesis
-can be used as acyl transfer reagent and bromination reagent, commonly used in allylation reaction and substitution reaction
-There are also some applications in the field of pesticides and pharmaceuticals

Method:
4-Chloro-3-(trifluoromethyl)benzyl bromide is generally prepared by the following steps:
1. First, 3-trifluoromethylbenzoic acid is reacted with trimethyl phosphite under alkaline conditions to produce trimethyl 3-(trifluoromethyl) benzoate.
2. Trimethyl 3-(trifluoromethyl) benzoate was then brominated with bromine solution to give trimethyl 4-bromo-3-(trifluoromethyl) benzoate.
3. Finally, trimethyl 4-bromo-3-(trifluoromethyl) benzoate is reduced with hydrogen bromide to produce trimethyl 4-chloro-3-(trifluoromethyl) benzoate. This intermediate is then oxidized with sodium hypochlorite and finally reacted with trifluoroacetic acid and hydrofluoric acid to give the final product, 4-Chloro-3-(trifluoromethyl)benzyl bromide.

Safety Information:
When using 4-Chloro-3-(trifluoromethyl)benzyl bromide, it is necessary to strictly follow the safety procedures, wear protective glasses and gloves, and avoid contact with skin and eyes. Use in a well-ventilated place, avoid inhalation or ingestion. In case of accidental contact or ingestion, the affected area should be cleaned immediately and medical help should be sought.

Last Update：2024-04-09 21:01:54