Cas no 69902-83-6 (1-Bromo-2-methyl-3-(trifluoromethyl)benzene)

1-Bromo-2-methyl-3-(trifluoromethyl)benzene is a halogenated aromatic compound featuring a bromine substituent at the 1-position, a methyl group at the 2-position, and a trifluoromethyl group at the 3-position of the benzene ring. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki or Negishi couplings. The electron-withdrawing trifluoromethyl group enhances the compound's stability and influences its regioselectivity in further functionalization. Its high purity and well-defined molecular architecture make it suitable for pharmaceutical and agrochemical applications, where precise structural control is critical. The compound is typically handled under inert conditions due to its sensitivity to moisture and air.
1-Bromo-2-methyl-3-(trifluoromethyl)benzene structure
69902-83-6 structure
Product Name:1-Bromo-2-methyl-3-(trifluoromethyl)benzene
CAS No:69902-83-6
MF:C8H6BrF3
MW:239.032452106476
MDL:MFCD04038231
CID:90487
PubChem ID:2775634
Update Time:2025-05-28

1-Bromo-2-methyl-3-(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-2-methyl-3-(trifluoromethyl)benzene
    • 3-Bromo-2-methylbenzotrifluoride
    • 2-Methyl-3-(Trifluoromethyl)Bromobenzene
    • 2-Bromo-6-(trifluoromethyl)toluene
    • 2-BROMO-6-TRIFLUOROMETHYLTOLUENE
    • KSC495A6L
    • OYFKTZQGAWXNTI-UHFFFAOYSA-N
    • SBB099023
    • KM1315
    • 3-Bromo-2-methyltrifluoromethylbenzene
    • AS05917
    • AM82957
    • RP28351
    • CM13214
    • 3-Bromo-2-methyl trifluorome
    • DTXSID20379624
    • FT-0676188
    • BP-11338
    • J-509948
    • 1-bromo-2-methyl-3-trifluoromethyl-benzene
    • EN300-3562614
    • A866719
    • 69902-83-6
    • AKOS005258108
    • MFCD04038231
    • SCHEMBL263917
    • CS-W009483
    • SY030182
    • 3-Bromo-2-methylbenzotrifluoride 97%
    • PS-7608
    • 1-Bromo-2-methyl-3-(trifluoromethyl)benzene, 3-Bromo-alpha,alpha,alpha-trifluoro-o-xylene
    • 2-methyl-3-(trifluoromethyl)-1-bromobenzene
    • 2-bromo-6-(trifluoromethyl)toluene;2-methyl-3-(trifluoromethyl)bromobenzene;
    • MDL： MFCD04038231
    • Inchi： 1S/C8H6BrF3/c1-5-6(8(10,11)12)3-2-4-7(5)9/h2-4H,1H3
    • InChI Key： OYFKTZQGAWXNTI-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CC(C(F)(F)F)=C1C

Computed Properties

  • Exact Mass: 237.96000
  • Monoisotopic Mass: 237.96
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.9
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Liquid
  • Density: 1.538
  • Melting Point: No data available
  • Boiling Point: 179 oC
  • Flash Point: 68 oC
  • Refractive Index: 1.474
  • Solubility: Not miscible or difficult to mix.
  • PSA: 0.00000
  • LogP: 3.77630
  • Solubility: It is not miscible with water.

1-Bromo-2-methyl-3-(trifluoromethyl)benzene Security Information

1-Bromo-2-methyl-3-(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-2-methyl-3-(trifluoromethyl)benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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