Cas no 13130-79-5 (1-Bromoisoquinolin-3-amine)

1-Bromoisoquinolin-3-amine is a brominated isoquinoline derivative featuring an amine functional group at the 3-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of both bromine and amine groups allows for selective functionalization, enabling cross-coupling reactions, nucleophilic substitutions, and further derivatization. Its well-defined reactivity profile makes it valuable for constructing complex heterocyclic frameworks. The compound is typically handled under inert conditions due to its sensitivity to moisture and air. High-purity grades are available to ensure reproducibility in research and industrial applications. Proper storage and handling are recommended to maintain stability.
1-Bromoisoquinolin-3-amine structure
1-Bromoisoquinolin-3-amine structure
Product Name:1-Bromoisoquinolin-3-amine
CAS No:13130-79-5
MF:C9H7BrN2
MW:223.069280862808
MDL:MFCD00102193
CID:49052
PubChem ID:289845
Update Time:2025-06-07

1-Bromoisoquinolin-3-amine Chemical and Physical Properties

Names and Identifiers

    • 1-Bromoisoquinolin-3-amine
    • 1-BROMOISOQUINOLIN-3-YLAMINE
    • 1-BROMOISOQUINOLINE-3-AMINE
    • 3-AMINO-1-BROMOISOQUINOLINE
    • 3-Amino-1-bromo-isoquinoline
    • 1-Bromo-3-isoquinolinamine
    • 1-BroMo-iso-3-aMino-quinoline
    • 3-Amino-1-bromoisoquinoline 98%
    • 3-AMino-1-broMoisoquinoline, 97+%
    • CS-0060672
    • PS-5177
    • MFCD00102193
    • 1-Bromo-3-aminoisoquinoline
    • W-205338
    • 13130-79-5
    • DTXSID50302622
    • AKOS016007466
    • SY128071
    • EN300-203749
    • InChI=1/C9H7BrN2/c10-9-7-4-2-1-3-6(7)5-8(11)12-9/h1-5H,(H2,11,12
    • FT-0607534
    • Z1269151211
    • A806239
    • NSC-152177
    • SCHEMBL303815
    • V10165
    • 3-isoquinolinamine, 1-bromo-
    • NSC152177
    • 1-bromanylisoquinolin-3-amine
    • 1-Bromo-3-isoquinolinamine #
    • AC-907/25014232
    • DB-004223
    • MDL： MFCD00102193
    • Inchi： 1S/C9H7BrN2/c10-9-7-4-2-1-3-6(7)5-8(11)12-9/h1-5H,(H2,11,12)
    • InChI Key： PSQUIUNIVDKHJK-UHFFFAOYSA-N
    • SMILES： BrC1C2C=CC=CC=2C=C(N)N=1

Computed Properties

  • Exact Mass: 221.97900
  • Monoisotopic Mass: 221.979
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 163
  • 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: 3
  • XLogP3: 2.8
  • Topological Polar Surface Area: 38.9A^2

Experimental Properties

  • Color/Form: Tawny powder
  • Density: No data available
  • Melting Point: 144 °C
  • Boiling Point: 387.8°C at 760 mmHg
  • Flash Point: No data available
  • Refractive Index: 1.732
  • Water Partition Coefficient: Slightly soluble in water.
  • PSA: 38.91000
  • LogP: 3.16070
  • Sensitiveness: Air Sensitive
  • Solubility: Not determined
  • Vapor Pressure: No data available

1-Bromoisoquinolin-3-amine Security Information

1-Bromoisoquinolin-3-amine 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%

1-Bromoisoquinolin-3-amine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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1-Bromoisoquinolin-3-amine
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TRC
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 $ 50.00 2022-06-06
TRC
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 $ 70.00 2022-06-06
TRC
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1-Bromoisoquinolin-3-amine Production Method

1-Bromoisoquinolin-3-amine Related Literature

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