Cas no 16588-74-2 (1-isocyanato-3,5-bis(trifluoromethyl)benzene)

1-Isocyanato-3,5-bis(trifluoromethyl)benzene is a highly reactive aromatic isocyanate derivative characterized by the presence of two trifluoromethyl groups at the 3- and 5-positions of the benzene ring. This compound is primarily utilized in the synthesis of specialized polymers, agrochemicals, and pharmaceuticals due to its electron-withdrawing trifluoromethyl substituents, which enhance reactivity and stability. Its isocyanate group enables efficient cross-linking in polyurethane and polyurea formulations, while the fluorinated aromatic backbone contributes to thermal and chemical resistance. The compound is particularly valued in high-performance applications requiring resistance to harsh environments, such as coatings, adhesives, and advanced materials. Proper handling is essential due to its moisture sensitivity and potential toxicity.
1-isocyanato-3,5-bis(trifluoromethyl)benzene structure
16588-74-2 structure
Product Name:1-isocyanato-3,5-bis(trifluoromethyl)benzene
CAS No:16588-74-2
MF:C9H3F6NO
MW:255.116643190384
MDL:MFCD00013559
CID:87713
PubChem ID:2733314
Update Time:2025-05-27

1-isocyanato-3,5-bis(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOCYANATE
    • 1-ISOCYANATO-3,5-BIS(TRIFLUOROMETHYL)BENZENE
    • 3,5-DI(TRIFLUOROMETHYL)PHENYLISOCYANATE
    • Isocyanic Acid 3,5-Bis(trifluoromethyl)phenyl Ester
    • 3,5-Bis(trifluoromethyl)phenyl Isocyanate Isocyanic Acid 3,5-Bis(trifluoromethyl)phenyl Ester
    • alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-isocyanato-m-xylene, 1,3-Bis(trifluoromethyl)-5-isocyanatobenzene
    • 3,5-Bis(trifluoromethyl)phenylisocyanate97%
    • 3,5-Bis(trifluoromethyl)phenyl isocyanate 97%
    • 3,5-Bis(trifluoromethyl)phenyl isocyanate,98%
    • 3,5-Bis(trifluoroMethyl)phenyl isocyanate, 98% 5GR
    • 3,5-Bis(trifluoroMethyl)phenyl isocyanate, 98% 1GR
    • 3,5-di(trifluoromethyl)-1-isocyanatobenzene
    • 3,5-Bis-(trifluoromethyl)-phenylisocyanate
    • FT-0614470
    • 3,5-di(trifluoromethyl)phenyl isocyanate
    • SCHEMBL419151
    • EN300-1936130
    • GEO-00369
    • 16588-74-2
    • MFCD00013559
    • AKOS015890327
    • 3,5-Bis(trifluoromethyl)isocyanate
    • 3,5- bis(trifluoromethyl)phenyl isocyanate
    • AS-46123
    • J-511240
    • 3,5-bistrifluorometylphenylisocyanate
    • 3,5-Bis(trifluoromethyl)phenylisocyanate
    • Benzene, 1-isocyanato-3,5-bis(trifluoromethyl)-
    • I0766
    • 1-Isocyanato-3,5-bis-trifluoromethyl-benzene
    • 3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%
    • A18281
    • ANTHRAQUINONE-2,7-DISULFONICACIDDISODIUMSALT
    • 3,5-bis-(trifluoromethyl)phenyl isocyanate
    • CL8851
    • 3,5-bis(trifluoromethyl)-phenyl isocyanate
    • SY011486
    • DTXSID00369841
    • DB-043635
    • STL555739
    • BBL101942
    • 1-isocyanato-3,5-bis(trifluoromethyl)benzene
    • MDL： MFCD00013559
    • Inchi： 1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
    • InChI Key： NRSSOFNMWSJECS-UHFFFAOYSA-N
    • SMILES： FC(C1C=C(C=C(C(F)(F)F)C=1)N=C=O)(F)F
    • BRN： 542272

Computed Properties

  • Exact Mass: 255.01200
  • Monoisotopic Mass: 255.012
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 294
  • 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: nothing
  • Topological Polar Surface Area: 29.4A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.476?g/mL?at 25?°C(lit.)
  • Melting Point: No data available
  • Boiling Point: 78°C/25mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:154.4°F
    Degrees Celsius:68°C
  • Refractive Index: n20/D 1.43(lit.)
  • Water Partition Coefficient: Hydrolyzes with water.
  • PSA: 29.43000
  • LogP: 3.69150
  • Sensitiveness: Moisture Sensitive
  • Solubility: Not determined

1-isocyanato-3,5-bis(trifluoromethyl)benzene Security Information

1-isocyanato-3,5-bis(trifluoromethyl)benzene Customs Data

  • HS CODE：2929109000
  • Customs Data：

    China Customs Code:

    2929109000

    Overview:

    2929109000. Other isocyanates. 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:

    2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

1-isocyanato-3,5-bis(trifluoromethyl)benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.
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3,5-Bis(trifluoromethyl)phenyl Isocyanate
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Fluorochem
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3,5-Bis(trifluoromethyl)phenylisocyanate
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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1-isocyanato-3,5-bis(trifluoromethyl)benzene
 16588-74-2 >98.0%(GC)
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 ￥102.90 2023-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
B153168-25G
1-isocyanato-3,5-bis(trifluoromethyl)benzene
 16588-74-2 >98.0%(GC)
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 ￥1731.90 2023-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
B153168-5G
1-isocyanato-3,5-bis(trifluoromethyl)benzene
 16588-74-2 >98.0%(GC)
5g
 ￥459.90 2023-09-04
TRC
B592178-50mg
3,5-Bis(trifluoromethyl)phenyl Isocyanate
 16588-74-2
50mg
 $ 50.00 2022-06-07
TRC
B592178-100mg
3,5-Bis(trifluoromethyl)phenyl Isocyanate
 16588-74-2
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 $ 65.00 2022-06-07
TRC
B592178-500mg
3,5-Bis(trifluoromethyl)phenyl Isocyanate
 16588-74-2
500mg
 $ 95.00 2022-06-07

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