Cas no 86845-28-5 (1-bromo-3-methyl-5-(trifluoromethyl)benzene)

1-bromo-3-methyl-5-(trifluoromethyl)benzene structure
86845-28-5 structure
Product Name:1-bromo-3-methyl-5-(trifluoromethyl)benzene
CAS No:86845-28-5
MF:C8H6BrF3
MW:239.032452106476
MDL:MFCD01631585
CID:720187
PubChem ID:20467615
Update Time:2024-10-26

1-bromo-3-methyl-5-(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-(trifluoromethyl)toluene
    • 1-bromo-3-methyl-5-(trifluoromethyl)benzene
    • 3-Bromo-5-methylbenzotrifluoride
    • Benzene,1-bromo-3-methyl-5-(trifluoromethyl)-
    • C8H6BrF3
    • 1-Bromo-3-methyl-5-trifluoromethylbenzene
    • 1-bromo-3-methyl-5-trifluoromethyl-benzene
    • ZDAIYLXHTGIUGY-UHFFFAOYSA-N
    • PC6188
    • SBB099020
    • DT2075
    • AS02041
    • AM62551
    • FCH1321183
    • CM13216
    • 3-methyl-5-(trifluoromethyl)bromobenzene
    • 1-Bromo-3-methyl-5-(trifluoromethyl)benzene (ACI)
    • MDL: MFCD01631585
    • Inchi: 1S/C8H6BrF3/c1-5-2-6(8(10,11)12)4-7(9)3-5/h2-4H,1H3
    • InChI Key: ZDAIYLXHTGIUGY-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C)C=C(Br)C=1)(F)F

Computed Properties

  • Exact Mass: 237.96000
  • 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

Experimental Properties

  • Boiling Point: 178.7℃ at 760 mmHg
  • PSA: 0.00000
  • LogP: 3.77630

1-bromo-3-methyl-5-(trifluoromethyl)benzene Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1-bromo-3-methyl-5-(trifluoromethyl)benzene Pricemore >>

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1-bromo-3-methyl-5-(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; et al, Journal of Organic Chemistry, 2020, 85(5), 3110-3124

1-bromo-3-methyl-5-(trifluoromethyl)benzene Raw materials

1-bromo-3-methyl-5-(trifluoromethyl)benzene Preparation Products

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