ChemicalBook > CAS DataBase List > 4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE

4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE

Product Name
4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE
CAS No.
86845-27-4
Chemical Name
4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE
Synonyms
5-BROMO-2-METHYLBENZOTRIFLUORIDE;4-BROMO-2-(TRIFLUOROMETHYL)TOLUENE;5-Bromo-2-methylbenzotrifluoride98%;5-Bromo-2-methylbenzotrifluoride 98%;4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZEN;4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE;4-bromo-1-methyl-2-(trifluoromethyl)benzene;Benzene,4-broMo-1-Methyl-2-(trifluoroMethyl)-;4-Methyl-3-(trifluoromethyl)bromobenzene, 97+%;4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE86845-27-4
CBNumber
CB6190972
Molecular Formula
C8H6BrF3
Formula Weight
239.03
MOL File
86845-27-4.mol
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4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE Property

Boiling point:
181.8±35.0 °C(Predicted)
Density 
1 g/cm3
refractive index 
1.4870
storage temp. 
2-8°C
Appearance
Colorless to light yellow Liquid
InChI
InChI=1S/C8H6BrF3/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,1H3
InChIKey
IZFVIEYHUOUPPH-UHFFFAOYSA-N
SMILES
C1(C)=CC=C(Br)C=C1C(F)(F)F
CAS DataBase Reference
86845-27-4(CAS DataBase Reference)
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Safety

Hazard Codes 
F
Risk Statements 
10-36/37/38
Safety Statements 
16-26-36
RIDADR 
1993
Hazard Note 
Flammable
HazardClass 
IRRITANT
PackingGroup 
III
HS Code 
2903998090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H227Combustible liquid

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

TRC
Product number
B699063
Product name
4-Bromo-2-(trifluoromethyl)toluene
Packaging
100mg
Price
$45
Updated
2021/12/16
TRC
Product number
B699063
Product name
4-Bromo-2-(trifluoromethyl)toluene
Packaging
250mg
Price
$55
Updated
2021/12/16
SynQuest Laboratories
Product number
1800-B-59
Product name
5-Bromo-2-methylbenzotrifluoride
Purity
98%
Packaging
1g
Price
$68
Updated
2021/12/16
BroadPharm
Product number
BP-20386
Product name
4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE
Purity
96%
Packaging
5G
Price
$70
Updated
2021/12/16
BroadPharm
Product number
BP-20386
Product name
4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE
Purity
96%
Packaging
1g
Price
$20
Updated
2021/12/16
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4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE Chemical Properties,Usage,Production

Synthesis

65934-74-9

86845-27-4

Under nitrogen protection, 2642.3 g of a 48% aqueous solution of hydrogen bromide was added to the reactor. The temperature of the system was adjusted to 30 °C, followed by the slow dropwise addition of 1760.0 g of a mixed solution of water and 880.0 g of acetic acid while stirring. Next, 880.0 g of 2-methyl-5-aminobenzotrifluoride (isomer content 0.037%, determined by gas phase area normalization) was added. After the dropwise addition, the reaction temperature was raised to 95 °C with continuous stirring for 30 min to obtain the corresponding hydrogen bromide salt solution. The reaction solution was cooled to 0 °C, at which temperature 1213.3 g of a 30% aqueous sodium nitrite solution was slowly added dropwise. After completion of the dropwise addition, the reaction was continued for 1.0 hour to ensure complete reaction. The prepared diazonium salt solution was slowly added dropwise at 65 °C to a pre-prepared mixture containing 360.4 g of copper bromide and 4997.0 g of 48% aqueous hydrogen bromide. A large amount of nitrogen release was observed during the reaction. After dropwise addition, stirring was continued for 1 hour to obtain a solution of 4-bromo-1-methyl-2-(trifluoromethyl)benzene. At the end of the reaction, the reaction solution was cooled to 20 °C, stirred for 1.0 h and left to stratify. 1046.0 g of the organic layer was separated and 3661.0 g of water was added and the pH was adjusted with 5.0% alkali metal hydroxide solution to 7. Subsequent steam distillation afforded 1032.0 g of a pale yellow 4-bromo-1-methyl-2-(trifluoromethyl)benzene product in 85.9% yield and 99.2% gas phase purity. Gas chromatographic analysis showed that the isomer content in the product was less than 0.1%.

References

[1] Patent: CN107915570, 2018, A. Location in patent: Paragraph 0057-0061; 0064-0067

4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE manufacturers

Career Henan Chemical Co
Product
4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE 86845-27-4
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
kg/T
Release date
2019-12-18

86845-27-4, 4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENERelated Search:


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