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68322-84-9

68322-84-9 Structure

68322-84-9 Structure
IdentificationMore
[Name]

3-Bromo-4-fluorobenzotrifluoride
[CAS]

68322-84-9
[Synonyms]

2-BROMO-1-FLUORO-4-(TRIFLUOROMETHYL)BENZENE
2-FLUORO-5-(TRIFLUOROMETHYL)BROMOBENZENE
3-BROMO-4-FLUOROBENZOTRIFLUORIDE
3-BROMO-ALPHA,ALPHA,ALPHA,4-TETRAFLUOROTOLUENE
3-bromo-4-trifluorotoluene
2-Bromo-1-fluoro-4-(trifluoromethyl)benzene~2-Fluoro-5-(trifluoromethyl)bromobenzene
4-fluoro-3-bromobenzoTrifluoride
3-Bromo-4-fluorobenzotrifluori
3-Bromo-4-fluorobenzotrifluoride 97%
3-Bromo-4-fluorobenzotrifluoride97%
1-Fluoro-2-bromo-4-(trifluoromethyl)benzene
3-Bromo-α,α,α,4-tetrafluorotoluene
[Molecular Formula]

C7H3BrF4
[MDL Number]

MFCD00040938
[Molecular Weight]

243
[MOL File]

68322-84-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Boiling point ]

148-149 °C (lit.)
[density ]

1.706 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.459(lit.)
[Fp ]

161 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Light orange to Yellow
[Specific Gravity]

1.710
[BRN ]

2093911
[InChI]

1S/C7H3BrF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
[InChIKey]

RZJOIMPUMMQKFR-UHFFFAOYSA-N
[SMILES]

Fc1ccc(cc1Br)C(F)(F)F
[CAS DataBase Reference]

68322-84-9(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Bromo-4-fluorobenzotrifluoride(68322-84-9)
Safety DataBack Directory
[Hazard Codes ]

C,Xi,Xn
[Risk Statements ]

R34:Causes burns.
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 ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
[RIDADR ]

UN1760
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29039990
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

3-Bromo-4-fluorobenzotrifluoride is used as a pharmaceutical and pesticide intermediate.
[Synthesis]

In a 2000ml three-necked flask, 400g of concentrated sulfuric acid,p-fluorobenzotrifluoride 400g, lithium bromide 10g, ferric bromide 20g, tetrabutylammonium bromide 10g, Bromine 234.14g, temperature control 35-45 ° C, the reaction 6h, GC detection of raw materials 0.36percent. Cooled to below 30, transferred to 2000ml separation funnel, stationary 1h, the acid was separated, the crude product was placed in 2000 ml bottle,1000g of water was added under stirring, dropping 10 percent sodium hydroxide solution to adjust PH = 7,548.6 g of 3-bromo-4-fluorobenzotrifluoride was isolated at a constant rate of 92.56percent with 97.9 percent.
[References]

[1] Patent: CN105152853, 2017, B. Location in patent: Paragraph 0030
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromo-4-fluorobenzotrifluoride(68322-84-9)MS
3-Bromo-4-fluorobenzotrifluoride(68322-84-9)1HNMR
3-Bromo-4-fluorobenzotrifluoride(68322-84-9)13CNMR
3-Bromo-4-fluorobenzotrifluoride(68322-84-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Bromo-4-fluorobenzotrifluoride, 97%(68322-84-9)
[Alfa Aesar]

3-Bromo-4-fluorobenzotrifluoride, 97%(68322-84-9)
[Sigma Aldrich]

68322-84-9(sigmaaldrich)
[TCI AMERICA]

3-Bromo-4-fluorobenzotrifluoride,>96.0%(GC)(68322-84-9)
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