Cas no 471937-78-7 (1-Isothiocyanato-3-(trifluoromethoxy)benzene)

1-Isothiocyanato-3-(trifluoromethoxy)benzene structure
471937-78-7 structure
Product Name:1-Isothiocyanato-3-(trifluoromethoxy)benzene
CAS No:471937-78-7
MF:C8H4F3NOS
MW:219.18367099762
MDL:MFCD07596437
CID:1067077
PubChem ID:5200413
Update Time:2025-10-28

1-Isothiocyanato-3-(trifluoromethoxy)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Isothiocyanato-3-(trifluoromethoxy)benzene
    • 004982
    • 3-(trifluoromethoxy)benzenisothiocyanate
    • 3-(Trifluoromethoxy)phenylisothiocyanate
    • AC1NP9JN
    • benzene, 1-isothiocyanato-3-(trifluoromethoxy)-
    • CTK1C7326
    • SBB013131
    • TOS-BB-1122
    • ZERO
    • EN300-133853
    • DTXSID00409458
    • SY041119
    • STK666928
    • Isothiocyanate, 3-(trifluoromethoxy)phenyl
    • 3-(trifluoromethoxy)phenyl isothiocyanate
    • SCHEMBL6699663
    • 471937-78-7
    • ALBB-013067
    • MFCD07596437
    • A914900
    • AKOS003381729
    • MDL： MFCD07596437
    • Inchi： 1S/C8H4F3NOS/c9-8(10,11)13-7-3-1-2-6(4-7)12-5-14/h1-4H
    • InChI Key： HMLWHJZZNJAFOM-UHFFFAOYSA-N
    • SMILES： S=C=NC1=CC=CC(=C1)OC(F)(F)F

Computed Properties

  • Exact Mass: 218.99656941g/mol
  • Monoisotopic Mass: 218.99656941g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 237
  • 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: 4.9
  • Topological Polar Surface Area: 53.7?2

1-Isothiocyanato-3-(trifluoromethoxy)benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
035120-1g
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 471937-78-7 97%
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 ￡55.00 2022-03-01
Fluorochem
035120-5g
3-(Trifluoromethoxy)phenylisothiocyanate
 471937-78-7 97%
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 ￡165.00 2022-03-01
Fluorochem
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TRC
B452638-100mg
1-isothiocyanato-3-(trifluoromethoxy)benzene
 471937-78-7
100mg
 $ 50.00 2022-06-07
TRC
B452638-500mg
1-isothiocyanato-3-(trifluoromethoxy)benzene
 471937-78-7
500mg
 $ 160.00 2022-06-07
TRC
B452638-1g
1-isothiocyanato-3-(trifluoromethoxy)benzene
 471937-78-7
1g
 $ 250.00 2022-06-07
Apollo Scientific
PC410056-1g
1-Isothiocyanato-3-(trifluoromethoxy)benzene
 471937-78-7
1g
 ￡45.00 2025-02-21
Apollo Scientific
PC410056-5g
1-Isothiocyanato-3-(trifluoromethoxy)benzene
 471937-78-7
5g
 ￡140.00 2025-02-21
Apollo Scientific
PC410056-25g
1-Isothiocyanato-3-(trifluoromethoxy)benzene
 471937-78-7
25g
 ￡460.00 2025-02-21
abcr
AB408270-500 mg
1-Isothiocyanato-3-(trifluoromethoxy)benzene
 471937-78-7
500MG
 €313.80 2023-02-20

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