Cas no 238403-52-6 (2-(trifluoromethylthio)benzyl bromide)

2-(Trifluoromethylthio)benzyl bromide is a versatile organobromine compound featuring a benzyl bromide moiety substituted with a trifluoromethylthio group at the ortho position. This reagent is particularly valuable in organic synthesis due to the electron-withdrawing nature of the trifluoromethylthio group, which enhances reactivity in nucleophilic substitution and cross-coupling reactions. Its high electrophilicity makes it useful for introducing the 2-(trifluoromethylthio)benzyl fragment into target molecules, enabling applications in pharmaceuticals, agrochemicals, and materials science. The compound’s stability under standard handling conditions and compatibility with various reaction media further contribute to its utility in synthetic chemistry. Proper storage in a cool, dry environment is recommended to maintain its reactivity.
2-(trifluoromethylthio)benzyl bromide structure
238403-52-6 structure
Product Name:2-(trifluoromethylthio)benzyl bromide
CAS No:238403-52-6
MF:C8H6BrF3S
MW:271.097450733185
MDL:MFCD00236345
CID:92522
PubChem ID:2777876
Update Time:2025-10-14

2-(trifluoromethylthio)benzyl bromide Chemical and Physical Properties

Names and Identifiers

    • 2-(trifluoromethylthio)benzyl bromide
    • 1-(bromomethyl)-2-(trifluoromethylsulfanyl)benzene
    • 1-(bromomethyl)-2-[(trifluoromethyl)sulfanyl]benzene
    • 2-(trifluoromethylthio)benzylbromide
    • JS-4133
    • AKOS015853062
    • A816933
    • (2-(bromomethyl)phenyl)(trifluoromethyl)sulfane
    • E81891
    • 2-[(Trifluoromethyl)thio]benzyl bromide
    • 238403-52-6
    • SCHEMBL1241733
    • 2-trifluoromethylthiobenzylbromide
    • FT-0644085
    • 1-bromomethyl-2-trifluoromethylsulfanyl-benzene
    • ETHYL2,5-DIMETHYLBENZOATE
    • DTXSID20380694
    • MFCD00236345
    • CS-0147063
    • DB-008099
    • SY062581
    • 1-(Bromomethyl)-2-[(trifluoromethyl)sulphanyl]benzene, 2-(Bromomethyl)phenyl trifluoromethyl sulphide
    • MDL： MFCD00236345
    • Inchi： 1S/C8H6BrF3S/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2
    • InChI Key： ZSBCQBRVNBLWAW-UHFFFAOYSA-N
    • SMILES： BrCC1C=CC=CC=1SC(F)(F)F

Computed Properties

  • Exact Mass: 269.93300
  • Monoisotopic Mass: 269.933
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 160
  • 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: 4.2
  • Topological Polar Surface Area: 25.3A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.63
  • Boiling Point: 71°C/1mm
  • Flash Point: 71°C/1mm
  • Refractive Index: 1.5295
  • PSA: 25.30000
  • LogP: 4.19340
  • Sensitiveness: Stench
  • Solubility: Not determined

2-(trifluoromethylthio)benzyl bromide Security Information

  • Hazard Statement： Corrosive/Stench
  • Hazardous Material transportation number：1759
  • Hazard Category Code： 34
  • Safety Instruction： S26; S36/37/39
  • Hazardous Material Identification： C
  • HazardClass：8
  • PackingGroup：III
  • Safety Term：8
  • Packing Group：III
  • Risk Phrases：R34

2-(trifluoromethylthio)benzyl bromide Customs Data

  • HS CODE：2930909090
  • Customs Data：

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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2-(trifluoromethylthio)benzyl bromide Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:238403-52-6)2-(trifluoromethylthio)benzyl bromide
Order Number:A816933
Stock Status:in Stock
Quantity:5g/10g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:08
Price ($):485.0/838.0

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Amadis Chemical Company Limited
(CAS:238403-52-6)2-(trifluoromethylthio)benzyl bromide
A816933
Purity:99%/99%
Quantity:5g/10g
Price ($):485.0/838.0
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