2-Fluoro-5-bromobenzotrifluoride CAS 393-37-3

Introduction：Basic information about 2-Fluoro-5-bromobenzotrifluoride CAS 393-37-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

2-Fluoro-5-bromobenzotrifluoride Basic information

• Product Name: 2-Fluoro-5-bromobenzotrifluoride
• Synonyms: 5-Bromo-alpha,alpha,alpha,2-tetrafluorotoluene4-Bromo-1-fluoro-2-(trifluoromethyl)benzene;5--2-of fluorinebroMinethree fluorine toluene;2-FLUORO-5-BROMO BENZOTRIFLUORIDE;4-BROMO-1-FLUORO-2-(TRIFLUOROMETHYL)BENZENE;4-FLUORO-3-(TRIFLUOROMETHYL)BROMOBENZENE;5-BROMO-ALPHA,ALPHA,ALPHA,2-TETRAFLUOROTOLUENE;5-BROMO-2-FLUOROBENZOTRIFLUORIDE;2-Fluoro-5-BromotrifluoromethylBenzene
• CAS: 393-37-3
• MF: C7H3BrF4
• MW: 243
• Product Categories: Aryl Fluorinated Building Blocks;Building Blocks;Chemical Synthesis;Fluorinated Building Blocks;Halogenated Hydrocarbons;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks;alkyl bromide| alkyl Fluorine;Fluorobenzene;Miscellaneous;Benzotrifluoride Series;Aryl;C7;Halogenated Hydrocarbons;Trifluoromethylbenzene serise
• Mol File: 393-37-3.mol

2-Fluoro-5-bromobenzotrifluoride Chemical Properties

• Melting point: 203 °C(Solv: hexane (110-54-3))
• Boiling point: 79-80 °C/50 mmHg (lit.)
• density: 1.72 g/mL at 25 °C (lit.)
• refractive index: n20/D 1.462(lit.)
• Fp: >230 °F
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• form: Liquid
• color: Clear colorless to pale yellow
• Specific Gravity: 1.720
• Water Solubility: Soluble in water 700 g/L (20°C)
• BRN: 2643550
• InChI: InChI=1S/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
• InChIKey: AJLIJYGWAXPEOK-UHFFFAOYSA-N
• SMILES: C1(F)=CC=C(Br)C=C1C(F)(F)F
• CAS DataBase Reference: 393-37-3(CAS DataBase Reference)

Safety Information

• Hazard Codes: Xi,Xn
• Risk Statements: 36/37/38-20/21/22
• Safety Statements: 23-24/25-36-26-37
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29039990
• Storage Class: 10 - Combustible liquids

2-Fluoro-5-bromobenzotrifluoride Usage And Synthesis

Chemical Properties

Colorless liquid

Uses

Pharmaceutical Intermediates.

Uses

5-Bromo-2-fluorobenzotrifluoride may be used in the preparation of:

• 3,5-bis(4-fluoro-3-trifluoromethylphenyl)phenol
• 9,9-bis(2-ethylhexyl)-2,7-bis[4-fluoro-3-trifluoromethylphenyl]-9H-fluorene
• 3-trifluoromethyl-4-fluoro phenyl boronic acid

Synthesis Reference(s)

Journal of the American Chemical Society, 69, p. 2022, 1947 DOI: 10.1021/ja01200a060

General Description

5-Bromo-2-fluorobenzotrifluoride is commonly used in the preparation poly(arylene ether)s (PAEs).

Synthesis

392-85-8

393-37-3

The general procedure for synthesizing 2-fluoro-5-bromobenzotrifluoride from 2-fluorobenzotrifluoride was as follows: referring to Example 4, 400 g of concentrated sulfuric acid, 400 g of 2-fluorobenzotrifluoride, 20 g of lithium bromide, 20 g of ferric bromide, 20 g of tetrabutylammonium bromide, and 273.17 g of bromine were added to a 2000 mL three-necked flask, in sequence. The reaction temperature was controlled to be between 35-45°C. Samples were taken after 6 hours of reaction and showed 0.36% of raw material remaining by gas chromatography (GC). The reaction mixture was cooled to below 30 °C, transferred to a 2000 mL dispensing funnel and allowed to stand for 1 h to separate the acid layer. The crude product was transferred to a 2000 mL flask and 1000 g of water was added under stirring and the pH was adjusted to 7 by adding 10% sodium hydroxide solution dropwise to give 550.3 g of 2-fluoro-5-bromobenzotrifluoride crude oil in 92.84% yield. The crude oil was distilled under reduced pressure to obtain 517.18 g of pure product with a yield of 93.98% and a product purity of 95.9%.

References

[1] Patent: CN105152853, 2017, B. Location in patent: Paragraph 0029

2-Fluoro-5-bromobenzotrifluoride Preparation Products And Raw materials

• Raw materials: 2-Fluorobenzotrifluoride-->4-Fluoro-3-(trifluoromethyl)aniline