Cas no 847502-81-2 (1-Bromo-3,4-difluoro-2-methylbenzene)

1-Bromo-3,4-difluoro-2-methylbenzene structure
847502-81-2 structure
Product Name:1-Bromo-3,4-difluoro-2-methylbenzene
CAS No:847502-81-2
MF:C7H5BrF2
MW:207.015408277512
MDL:MFCD07777161
CID:716441
PubChem ID:12137677
Update Time:2024-10-26

1-Bromo-3,4-difluoro-2-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-3,4-difluoro-2-methylbenzene
    • 3,4-DIFLUORO-2-METHYLBROMOBENZENE
    • 6-Bromo-2,3-difluorotoluene
    • 3,4-DIFLUORO-2-METHYL-BROMOBENZENE
    • Benzene,1-bromo-3,4-difluoro-2-methyl-
    • 2-Bromo-5,6-difluorotoluene
    • 1-Bromo-3,4-difluoro-2-methylbenzene (ACI)
    • DTXSID00478306
    • YXTCBTSPHSNDHD-UHFFFAOYSA-N
    • AKOS005255139
    • SCHEMBL112218
    • MFCD07777161
    • STL554506
    • N10501
    • PS-10221
    • Benzene, 1-bromo-3,4-difluoro-2-methyl-
    • CS-W015288
    • BBL100712
    • EN300-7341954
    • AB42398
    • SY028701
    • 847502-81-2
    • MDL: MFCD07777161
    • Inchi: 1S/C7H5BrF2/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3
    • InChI Key: YXTCBTSPHSNDHD-UHFFFAOYSA-N
    • SMILES: FC1C(F)=C(C)C(Br)=CC=1

Computed Properties

  • Exact Mass: 205.95400
  • Monoisotopic Mass: 205.95427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 118
  • 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: 3.2
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.588
  • Boiling Point: 182.7℃/760mmHg
  • Flash Point: 64.3°C
  • Refractive Index: 1.5105
  • PSA: 0.00000
  • LogP: 3.03570

1-Bromo-3,4-difluoro-2-methylbenzene 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-3,4-difluoro-2-methylbenzene Pricemore >>

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1-Bromo-3,4-difluoro-2-methylbenzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Bromine Catalysts: Iron Solvents: Chloroform ;  rt; overnight, rt
Reference
Discovery of a Novel Class of Highly Potent, Selective, ATP-Competitive, and Orally Bioavailable Inhibitors of the Mammalian Target of Rapamycin (mTOR)
Takeuchi, Craig S.; Kim, Byung Gyu; Blazey, Charles M.; Ma, Sunghoon; Johnson, Henry W. B.; et al, Journal of Medicinal Chemistry, 2013, 56(6), 2218-2234

Production Method 2

Reaction Conditions
1.1 Reagents: Bromine Catalysts: Aluminum chloride Solvents: Dichloromethane ;  rt → < 10 °C; 3 h, < 10 °C; 1 h, 10 °C
Reference
Process Development and Scale-Up of a Benzoxazepine-Containing Kinase Inhibitor
Naganathan, Sriram; Andersen, Denise L.; Andersen, Neil G.; Lau, Stephen; Lohse, Anders; et al, Organic Process Research & Development, 2015, 19(7), 721-734

1-Bromo-3,4-difluoro-2-methylbenzene Raw materials

1-Bromo-3,4-difluoro-2-methylbenzene Preparation Products

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