| Identification | More | [Name]
2-Fluoro-5-bromobenzotrifluoride | [CAS]
393-37-3 | [Synonyms]
2-FLUORO-5-BROMO BENZOTRIFLUORIDE
4-BROMO-1-FLUORO-2-(TRIFLUOROMETHYL)BENZENE
4-FLUORO-3-(TRIFLUOROMETHYL)BROMOBENZENE
5-BROMO-2-FLUOROBENZOTRIFLUORIDE
5-BROMO-ALPHA,ALPHA,ALPHA,2-TETRAFLUOROTOLUENE
2-Fluoro-5-BromotrifluoromethylBenzene
5-BROMO-2-FLUORO-(TRIFLUOROMETHYL)BENZENE
5-Bromo-2-Fluorobenzotrifluori
1-bromo-4-fluoro-3-(trifluoromethyl)benzene
5-Bromo-2-fluorobenzotrifluoride 97%
5-Bromo-2-fluorobenzotrifluoride97%
5-Bromo-2-fluorobenzotrifluoride, 98+% | [Molecular Formula]
C7H3BrF4 | [MDL Number]
MFCD00042493 | [Molecular Weight]
243 | [MOL File]
393-37-3.mol |
| Chemical Properties | Back Directory | [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 Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29039990 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless liquid | [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
| [Uses]
Pharmaceutical Intermediates. | [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]
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 |
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