Cas no 21101-63-3 (4-(Trifluoromethylthio)benzyl bromide)

4-(Trifluoromethylthio)benzyl bromide structure
21101-63-3 structure
Product Name:4-(Trifluoromethylthio)benzyl bromide
CAS No:21101-63-3
MF:C8H6BrF3S
MW:271.097450733185
MDL:MFCD00129189
CID:88245
PubChem ID:2777882
Update Time:2025-04-18

4-(Trifluoromethylthio)benzyl bromide Chemical and Physical Properties

Names and Identifiers

    • 4-(trifluoromethylthio)benzyl bromide
    • alpha-Bromo-4-(trifluoromethylthio)toluene
    • 1-(bromomethyl)-4-(trifluoromethylsulfanyl)benzene
    • 1-Bromomethyl-4-trifluoromethylsulfanyl-benzene
    • α-Bromo-4-(trifluoromethylthio)toluene
    • 1-Bromomethyl-4-trifluoromethylsulfanylbenzene
    • (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane
    • 4-(Trifluoromethylthio)benzylbromide
    • Benzene, 1-(bromomethyl)-4-[(trifluoromethyl)thio]-
    • 1-(bromomethyl)-4-[(trifluoromethyl)sulfanyl]benzene
    • VAYGJBCOCRVROJ-UHFFFAOYSA-N
    • 4-triflu
    • T2391
    • Benzene,1-(bromomethyl)-4-[(trifluoromethyl)thio]-
    • J-013844
    • 21101-63-3
    • AM62200
    • 4(trifluoromethylthio)benzyl bromide
    • 4-(Trifluoromethylthio)benzyl bromide, 97%
    • EN300-1928790
    • 1-(bromomethyl)-4-[(trifluoromethyl)sulphanyl]benzene
    • PS-9951
    • 1-(bromomethyl)-4-(trifluoromethylthio)benzene
    • 4-trifluoromethylthiobenzyl bromide
    • FT-0616954
    • A815138
    • alpha-Bromo-4-trifluoromethylthiotoluene
    • SCHEMBL697792
    • AKOS005258330
    • 4-(trifluoromethylthio) benzyl bromide
    • DTXSID40380696
    • MFCD00129189
    • 4-(Trifluoromethylthio)benzyl bromide
    • MDL： MFCD00129189
    • Inchi： 1S/C8H6BrF3S/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
    • InChI Key： VAYGJBCOCRVROJ-UHFFFAOYSA-N
    • SMILES： BrCC1C=CC(=CC=1)SC(F)(F)F
    • BRN： 2209970

Computed Properties

  • Exact Mass: 269.93300
  • Monoisotopic Mass: 269.933
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 152
  • 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: 25.3

Experimental Properties

  • Color/Form: {"from":"zh","to":"en","trans_result":[{"src":"\u672a\u786e\u5b9a","dst":"Not determined"},{"src":"2.\u00a0\u5bc6\u5ea6\uff08g\/mL,25\/4\u2103\uff09","dst":"2. density (g\/ml, 25\/4 \u2103)"}]}
  • Density: 1.63±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 53.0 to 57.0 deg-C
  • Boiling Point: 118°C/13mmHg(lit.)
  • Flash Point: 74.5±27.3 oC,
  • Refractive Index: 1.447
  • Solubility: Almost insoluble (0.041 g/l) (25 o C),
  • PSA: 25.30000
  • LogP: 4.19340
  • Sensitiveness: Stench

4-(Trifluoromethylthio)benzyl bromide Security Information

  • Symbol: GHS05
  • Prompt：dangerous
  • Signal Word：Danger
  • Hazard Statement： H314
  • Warning Statement： P280,P305+P351+P338,P310
  • Hazardous Material transportation number：UN 1759 8/PG 2
  • WGK Germany：3
  • Hazard Category Code： 34
  • Safety Instruction： S26-S27-S36/37/39-S45
  • Hazardous Material Identification： C
  • HazardClass：8
  • PackingGroup：II
  • Risk Phrases：R34; R36
  • Packing Group：II
  • Safety Term：8
  • Storage Condition：Store at 4°C,-4At ℃Store…Better

4-(Trifluoromethylthio)benzyl bromide Pricemore >>

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4-(Trifluoromethylthio)benzyl bromide Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:21101-63-3)4-(三氟甲硫基)苯甲基溴
Order Number:LE5682480
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:44
Price ($):discuss personally

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:21101-63-3)4-(三氟甲硫基)苯甲基溴
LE5682480
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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