Cas no 869285-47-2 (1,2,3-Trifluoro-5-isocyanatobenzene)

1,2,3-Trifluoro-5-isocyanatobenzene (CAS: 231291-22-8) is a fluorinated aromatic isocyanate with the molecular formula C7H2F3NO. This compound features a benzene ring substituted with three fluorine atoms at the 1, 2, and 3 positions and an isocyanate group (-NCO) at the 5 position. The presence of multiple fluorine atoms enhances its electron-withdrawing properties, making it a valuable intermediate in the synthesis of fluorinated polymers, agrochemicals, and pharmaceuticals. Its high reactivity with nucleophiles, such as amines and alcohols, allows for efficient incorporation into ureas, carbamates, and other functionalized derivatives. The trifluoromethyl groups contribute to improved thermal stability and chemical resistance in derived materials. This compound is particularly useful in applications requiring precise control over molecular architecture and enhanced performance characteristics.
1,2,3-Trifluoro-5-isocyanatobenzene structure
869285-47-2 structure
Product Name:1,2,3-Trifluoro-5-isocyanatobenzene
CAS No:869285-47-2
MF:C7H2F3NO
MW:173.092092037201
MDL:MFCD09971931
CID:1071516
PubChem ID:25218974
Update Time:2025-07-02

1,2,3-Trifluoro-5-isocyanatobenzene Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Trifluoro-5-isocyanatobenzene
    • BB 0261226
    • DTXSID80649173
    • EN300-275104
    • AKOS005171072
    • SCHEMBL21492276
    • VS-14342
    • MFCD09971931
    • 869285-47-2
    • ALBB-003020
    • BBL037646
    • STK502540
    • MDL： MFCD09971931
    • Inchi： 1S/C7H2F3NO/c8-5-1-4(11-3-12)2-6(9)7(5)10/h1-2H
    • InChI Key： PISHPAJOGZXLCG-UHFFFAOYSA-N
    • SMILES： FC1C(=C(C=C(C=1)N=C=O)F)F

Computed Properties

  • Exact Mass: 173.00884817g/mol
  • Monoisotopic Mass: 173.00884817g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 193
  • 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: 3
  • Topological Polar Surface Area: 29.4?2

1,2,3-Trifluoro-5-isocyanatobenzene Security Information

  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

1,2,3-Trifluoro-5-isocyanatobenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
030159-25g
1,2,3-Trifluoro-5-isocyanatobenzene
 869285-47-2 97%
25g
 4193.0CNY 2021-07-05
SHANG HAI XIAN DING Biotechnology Co., Ltd.
030159-5g
1,2,3-Trifluoro-5-isocyanatobenzene
 869285-47-2 97%
5g
 1120.0CNY 2021-07-13
TRC
T899013-100mg
1,2,3-Trifluoro-5-isocyanatobenzene
 869285-47-2
100mg
 $ 70.00 2022-06-02
TRC
T899013-500mg
1,2,3-Trifluoro-5-isocyanatobenzene
 869285-47-2
500mg
 $ 230.00 2022-06-02
TRC
T899013-1g
1,2,3-Trifluoro-5-isocyanatobenzene
 869285-47-2
1g
 $ 340.00 2022-06-02
SHANG HAI XIAN DING Biotechnology Co., Ltd.
030159-25g
1,2,3-Trifluoro-5-isocyanatobenzene
 869285-47-2 97%
25g
 4193CNY 2021-05-07
SHANG HAI XIAN DING Biotechnology Co., Ltd.
030159-5g
1,2,3-Trifluoro-5-isocyanatobenzene
 869285-47-2 97%
5g
 1120CNY 2021-05-07
Ambeed
A370746-1g
1,2,3-Trifluoro-5-isocyanatobenzene
 869285-47-2 95%
1g
 $280.0 2025-04-16
abcr
AB404908-500 mg
1,2,3-Trifluoro-5-isocyanatobenzene
 869285-47-2
500MG
 €195.40 2023-02-03
abcr
AB404908-1 g
1,2,3-Trifluoro-5-isocyanatobenzene
 869285-47-2
1 g
 €239.00 2023-07-19

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