Cas no 929000-62-4 (1-Bromo-2-methyl-4-(trifluoromethyl)benzene)

1-Bromo-2-methyl-4-(trifluoromethyl)benzene structure
929000-62-4 structure
Product Name:1-Bromo-2-methyl-4-(trifluoromethyl)benzene
CAS No:929000-62-4
MF:C8H6BrF3
MW:239.032452106476
MDL:MFCD09258773
CID:857668
PubChem ID:22754141
Update Time:2024-10-26

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

Names and Identifiers

    • 1-Bromo-2-methyl-4-(trifluoromethyl)benzene
    • 1-Bromo-2-methyl-4-trifluoromethylbenzene
    • 4-Bromo-3-methylbenzotrifluoride
    • 1-Bromo-2-methyl-4-(trifluoromethyl)benzene (ACI)
    • 1-Bromo-2-methyl-4-(trifluoromethyl)benzene, 4-Bromo-alpha,alpha,alpha-trifluoro-m-xylene
    • MFCD09258773
    • SY064687
    • AKOS005255454
    • 1-bromo-2-methyl-4-trifluoromethyl-benzene
    • DA-00708
    • CS-0153204
    • 2-Methyl-4-(trifluoromethyl)bromobenzene
    • AB49766
    • DTXSID50628096
    • FS-4398
    • 929000-62-4
    • EN300-141127
    • 2-Bromo-5-(trifluoromethyl)toluene
    • Z1269167994
    • 2-bromo-5-trifluoromethyltoluene
    • SCHEMBL624000
    • MDL: MFCD09258773
    • Inchi: 1S/C8H6BrF3/c1-5-4-6(8(10,11)12)2-3-7(5)9/h2-4H,1H3
    • InChI Key: NXHNLJDFFBZSKJ-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C)C(Br)=CC=1)(F)F

Computed Properties

  • Exact Mass: 237.96000
  • Monoisotopic Mass: 237.96050g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0.00000
  • LogP: 3.77630

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

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

1-Bromo-2-methyl-4-(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%

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1-Bromo-2-methyl-4-(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

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrofluoric acid, homopolymer, compd. with pyridine ,  (T-4)-[4-(1,1-Dimethylethyl)-2,6-dimethylphenyl]trifluorosulfur ;  24 h, 70 °C; 70 °C → rt
1.2 Reagents: Ethanol ;  30 min, rt
Reference
Deoxyfluorination of acyl fluorides to trifluoromethyl compounds by FLUOLEAD/Olah's reagent under solvent-free conditions
Liang, Yumeng ; Taya, Akihito; Zhao, Zhengyu; Saito, Norimichi; Shibata, Norio, Beilstein Journal of Organic Chemistry, 2020, 16, 3052-3058

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

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

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