Cas no 169468-80-8 (1-Chloro-2,3-difluoro-4-nitrobenzene)

1-Chloro-2,3-difluoro-4-nitrobenzene is a halogenated nitroaromatic compound with a molecular formula of C?H?ClF?NO?. This chemical is characterized by its high reactivity due to the presence of electron-withdrawing nitro and halogen substituents, making it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The chloro and fluoro groups enhance its stability and selectivity in substitution reactions, while the nitro group facilitates further functionalization. Its well-defined structure ensures consistent performance in electrophilic and nucleophilic aromatic substitution reactions. The compound is typically handled under controlled conditions due to its potential toxicity and reactivity, requiring appropriate safety measures during use.
1-Chloro-2,3-difluoro-4-nitrobenzene structure
169468-80-8 structure
Product Name:1-Chloro-2,3-difluoro-4-nitrobenzene
CAS No:169468-80-8
MF:C6H2ClF2NO2
MW:193.535387516022
MDL:MFCD06658265
CID:92056
PubChem ID:9837025
Update Time:2025-05-20

1-Chloro-2,3-difluoro-4-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Chloro-2,3-difluoro-4-nitrobenzene
    • 5-chloro-1,2-difluoro-3-nitrobenzene
    • 4-Chloro-2,3-difluoronitrobenzene
    • 5-CHLORO-2, 3-DIFLUORONITROBENZENE
    • Benzene, 1-chloro-2,3-difluoro-4-nitro-
    • 4-Chloro-2, 3-difluoronitrobenzene
    • PubChem4330
    • PubChem17267
    • OFQRRFRIDGZHSC-UHFFFAOYSA-N
    • SBB091628
    • FCH922804
    • CM10073
    • LS10078
    • 4-chloro-2,3-difluoro-1-nitrobenzene
    • AM61794
    • 4-chloro-2,3-difluoro-1 nitrobenzene
    • CS-0146964
    • 1-Chloro-2 pound not3-difluoro-4-nitrobenzene
    • 169468-80-8
    • MFCD06658265
    • FT-0643622
    • DS-1700
    • A20786
    • A20496
    • DTXSID30431545
    • AKOS006346043
    • BCP33114
    • 4-Chloro-2,3-difluoronitrobenzene;Benzene,1-chloro-2,3-difluoro-4-nitro
    • AC-9685
    • SCHEMBL8013048
    • BENZENE,1-CHLORO-2,3-DIFLUORO-4-NITRO-
    • DB-043789
    • 1-chloro-2,3-difluoro-4-nitro-benzene
    • MDL： MFCD06658265
    • Inchi： 1S/C6H2ClF2NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
    • InChI Key： OFQRRFRIDGZHSC-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=C(C=1F)F)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 192.97400
  • Monoisotopic Mass: 192.9742123g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 187
  • 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
  • Topological Polar Surface Area: 45.8
  • XLogP3: 2.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.591±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 251.2±35.0 oC (760 Torr),
  • Flash Point: 105.7±25.9 oC,
  • Refractive Index: 1.532
  • Solubility: Almost insoluble (0.048 g/l) (25 o C),
  • PSA: 45.82000
  • LogP: 3.04960
  • Vapor Pressure: No data available

1-Chloro-2,3-difluoro-4-nitrobenzene Security Information

1-Chloro-2,3-difluoro-4-nitrobenzene Customs Data

  • HS CODE：2904909090
  • Customs Data：

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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