Cas no 936092-88-5 (4-Bromo-2-methyl-1-(trifluoromethyl)benzene)

4-Bromo-2-methyl-1-(trifluoromethyl)benzene structure
936092-88-5 structure
Product Name:4-Bromo-2-methyl-1-(trifluoromethyl)benzene
CAS No:936092-88-5
MF:C8H6BrF3
MW:239.032452106476
MDL:MFCD11100526
CID:1006592
PubChem ID:45790478
Update Time:2024-10-26

4-Bromo-2-methyl-1-(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-2-methyl-1-(trifluoromethyl)benzene
    • 1-bromo-3-(trifluoromethyl)-2-methylbenzene
    • 4-Bromo-2-methylbenzotrifluoride
    • C8H6BrF3
    • 4-BROMO-2-METHYL-TRIFLUOROMETHYLBENZENE
    • 5-Bromo-2-(trifluoromethyl)toluene
    • 5-bromo-2-trifluoromethyltoluene
    • NJDGQPXHSKERCP-UHFFFAOYSA-N
    • STL557108
    • BBL103298
    • AK130018
    • Benzene, 4-bromo-2-methyl-1-(trifluoromethyl)-
    • Z1741970116
    • 4-Bromo-2-methyl-1-(trifluoromethyl)benzene (ACI)
    • 1-Bromo-3-methyl-4-(trifluoromethyl)benzene
    • 3-Methyl-4-trifluoromethylphenyl bromide
    • 4-Bromo-2-methyl-1-trifluoromethylbenzene
    • MDL: MFCD11100526
    • Inchi: 1S/C8H6BrF3/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4H,1H3
    • InChI Key: NJDGQPXHSKERCP-UHFFFAOYSA-N
    • SMILES: FC(C1C(C)=CC(Br)=CC=1)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 155
  • Topological Polar Surface Area: 0

4-Bromo-2-methyl-1-(trifluoromethyl)benzene Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

4-Bromo-2-methyl-1-(trifluoromethyl)benzene Pricemore >>

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4-Bromo-2-methyl-1-(trifluoromethyl)benzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrofluoric acid ,  Sulfur tetrafluoride ;  -196 °C → rt; 24 h, 85 °C; 85 °C → rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  0 °C
Reference
Deoxofluorination of (Hetero)aromatic Acids
Trofymchuk, Serhii; Bugera, Maksym Ya.; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; et al, Journal of Organic Chemistry, 2020, 85(5), 3110-3124

4-Bromo-2-methyl-1-(trifluoromethyl)benzene Raw materials

4-Bromo-2-methyl-1-(trifluoromethyl)benzene Preparation Products

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