Cas no 1532-91-8 (4-Chloroisoquinoline)

4-Chloroisoquinoline is a heterocyclic aromatic compound featuring a chlorine substituent at the 4-position of the isoquinoline scaffold. This structure serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its reactive chlorine atom enables facile functionalization through cross-coupling reactions, nucleophilic substitutions, or metal-catalyzed transformations. The compound’s rigid bicyclic framework contributes to its utility in constructing complex molecular architectures. It is commonly employed in the development of bioactive molecules, including potential therapeutic agents targeting neurological or inflammatory pathways. High purity grades are available to ensure reproducibility in research and industrial processes. Proper handling under inert conditions is recommended due to its sensitivity to moisture and air.
4-Chloroisoquinoline structure
4-Chloroisoquinoline structure
Product Name:4-Chloroisoquinoline
CAS No:1532-91-8
MF:C9H6ClN
MW:163.603641033173
MDL:MFCD00234490
CID:41540
PubChem ID:640974
Update Time:2025-05-28

4-Chloroisoquinoline Chemical and Physical Properties

Names and Identifiers

    • 4-Chloroisoquinoline
    • 4-Chlorisochinolin
    • 4-Chloroisochinolin
    • 4-Chloro-isoquinoline
    • 4-choroisoquinoline
    • isoquinoline,4-chloro
    • isoquinoline, 4-chloro-
    • KSC173M1N
    • LBEQEEIDWHKVAR-UHFFFAOYSA-N
    • RP22646
    • EN002215
    • ST2411365
    • AB0022470
    • W3341
    • A26436
    • 532C918
    • CS-W019128
    • InChI=1/C9H6ClN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6
    • 1532-91-8
    • MFCD00234490
    • J-515154
    • SY021123
    • SCHEMBL197273
    • AC-23135
    • FT-0645844
    • DTXSID40348837
    • FS-2933
    • AKOS006272210
    • DB-028830
    • MDL: MFCD00234490
    • Inchi: 1S/C9H6ClN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
    • InChI Key: LBEQEEIDWHKVAR-UHFFFAOYSA-N
    • SMILES: ClC1=CN=CC2C=CC=CC=21

Computed Properties

  • Exact Mass: 163.01900
  • Monoisotopic Mass: 163.0188769g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 138
  • 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: 2.7
  • Topological Polar Surface Area: 12.9

Experimental Properties

  • Density: 1.271
  • Boiling Point: 276.204 °C at 760 mmHg
  • Flash Point: 276.204 °C at 760 mmHg
  • Refractive Index: 1.652
  • PSA: 12.89000
  • LogP: 2.88820

4-Chloroisoquinoline Security Information

  • Hazard Statement: H302-H319
  • Storage Condition:Sealed in dry,2-8°C

4-Chloroisoquinoline Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-Chloroisoquinoline Pricemore >>

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