Cas no 76241-79-7 (3-chlorobenzene-1,2-dicarbonitrile)

3-chlorobenzene-1,2-dicarbonitrile structure
76241-79-7 structure
Product Name:3-chlorobenzene-1,2-dicarbonitrile
CAS No:76241-79-7
MF:C8H3ClN2
MW:162.575820207596
MDL:MFCD19689405
CID:574031
PubChem ID:3018642
Update Time:2025-04-19

3-chlorobenzene-1,2-dicarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Chlorophthalonitrile
    • 1,2-Benzenedicarbonitrile,3-chloro-
    • 3-Chlorobenzene-1,2-Dicarbonitrile
    • DTXSID80997585
    • EINECS 278-398-2
    • CL8193
    • AKOS016002219
    • LZQGFZMYLYXXHI-UHFFFAOYSA-N
    • NS00058665
    • SCHEMBL769417
    • CS-0455613
    • BDA24179
    • AS-45998
    • 1,2-Benzenedicarbonitrile, 3-chloro-
    • MFCD19689405
    • chloro-phthalonitrile
    • 76241-79-7
    • DB-304627
    • 3-chlorobenzene-1,2-dicarbonitrile
    • MDL: MFCD19689405
    • Inchi: 1S/C8H3ClN2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3H
    • InChI Key: LZQGFZMYLYXXHI-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(C#N)=C1C#N

Computed Properties

  • Exact Mass: 161.99800
  • Monoisotopic Mass: 161.998476
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 231
  • 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: 1.8
  • Topological Polar Surface Area: 47.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.34
  • Melting Point: No data available
  • Boiling Point: 326.5°C at 760 mmHg
  • Flash Point: 157.9°C
  • Refractive Index: 1.586
  • PSA: 47.58000
  • LogP: 2.08336
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

3-chlorobenzene-1,2-dicarbonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-chlorobenzene-1,2-dicarbonitrile Pricemore >>

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