Cas no 850197-72-7 (6-Bromo-5-nitro-isoquinoline)

6-Bromo-5-nitro-isoquinoline is a heterocyclic aromatic compound featuring a bromo and nitro substitution on the isoquinoline scaffold. Its structure makes it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. The bromo substituent enhances reactivity for cross-coupling reactions, while the nitro group offers versatility for further functionalization via reduction or nucleophilic substitution. This compound exhibits high purity and stability under standard conditions, ensuring reliable performance in synthetic applications. Its well-defined reactivity profile makes it suitable for constructing complex molecular architectures, particularly in medicinal chemistry for targeting biologically active compounds.
6-Bromo-5-nitro-isoquinoline structure
6-Bromo-5-nitro-isoquinoline structure
Product Name:6-Bromo-5-nitro-isoquinoline
CAS No:850197-72-7
MF:C9H5BrN2O2
MW:253.052201032639
MDL:MFCD08282782
CID:721157
PubChem ID:34176644
Update Time:2025-05-27

6-Bromo-5-nitro-isoquinoline Chemical and Physical Properties

Names and Identifiers

    • 6-Bromo-5-nitroisoquinoline
    • 6-BROMO-5-NITRO-ISOQUINOLINE
    • Isoquinoline,6-bromo-5-nitro-
    • 6-bromanyl-5-nitro-isoquinoline
    • VQ10293
    • FCH1386692
    • ST2418897
    • AX8007173
    • AB0027000
    • W8775
    • A841055
    • 6-Bromo-5-nitroisoquinoline (ACI)
    • SCHEMBL568019
    • AKOS005254360
    • SY077739
    • DS-1629
    • J-518413
    • CS-W022465
    • MFCD08282782
    • DTXSID60652983
    • DB-056838
    • EN300-328812
    • 850197-72-7
    • 6-Bromo-5-nitro-isoquinoline
    • MDL： MFCD08282782
    • Inchi： 1S/C9H5BrN2O2/c10-8-2-1-6-5-11-4-3-7(6)9(8)12(13)14/h1-5H
    • InChI Key： COTVYJVDXKFNRB-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C2C(=CN=CC=2)C=CC=1Br)=O

Computed Properties

  • Exact Mass: 251.95300
  • Monoisotopic Mass: 251.953
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • 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
  • Topological Polar Surface Area: 58.7
  • XLogP3: 2.6

Experimental Properties

  • Density: 1.747
  • Boiling Point: 356.1°C at 760 mmHg
  • Flash Point: 169.2°C
  • Refractive Index: 1.707
  • PSA: 58.71000
  • LogP: 3.42870

6-Bromo-5-nitro-isoquinoline Security Information

6-Bromo-5-nitro-isoquinoline 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%

6-Bromo-5-nitro-isoquinoline Pricemore >>

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6-Bromo-5-nitro-isoquinoline Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Nitric acid Solvents: Water
Reference
Isoquinoline-pyridine-based protein kinase B/Akt antagonists: SAR and in vivo antitumor activity
Zhu, Gui-Dong; et al, Bioorganic & Medicinal Chemistry Letters, 2006, 16(12), 3150-3155

Production Method 2

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Water ;  5 min
1.2 Reagents: Potassium nitrate ;  2 h, 0 °C
1.3 Reagents: Ammonium hydroxide Solvents: Water ;  pH 8 - 9, cooled
Reference
Synthesis of N-substituted benzo[c][1,7]- and benzo[c][1,8] phenanthrolin-(5H)-6-ones through a Pd-mediated Suzuki-Miyaura heteroaryl-aryl coupling reaction
Genes, Constance; et al, Tetrahedron, 2009, 65(48), 10009-10015

Production Method 3

Reaction Conditions
1.1 Solvents: Toluene ;  3 h, reflux
1.2 Reagents: Ethyl chloroformate Solvents: Chlorobenzene ;  10 min, -10 °C
1.3 Reagents: Trimethyl phosphite ;  -10 °C → rt; 40 h, rt; rt → 0 °C
1.4 Reagents: Titanium tetrachloride ;  0 °C; 24 h, 100 °C; 100 °C → rt
1.5 Reagents: Sodium hydroxide Solvents: Ethyl acetate ,  Water ;  basified, cooled
2.1 Reagents: Sulfuric acid Solvents: Water ;  5 min
2.2 Reagents: Potassium nitrate ;  2 h, 0 °C
2.3 Reagents: Ammonium hydroxide Solvents: Water ;  pH 8 - 9, cooled
Reference
Synthesis of N-substituted benzo[c][1,7]- and benzo[c][1,8] phenanthrolin-(5H)-6-ones through a Pd-mediated Suzuki-Miyaura heteroaryl-aryl coupling reaction
Genes, Constance; et al, Tetrahedron, 2009, 65(48), 10009-10015

6-Bromo-5-nitro-isoquinoline Raw materials

6-Bromo-5-nitro-isoquinoline Preparation Products

6-Bromo-5-nitro-isoquinoline Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:850197-72-7)6-Bromo-5-nitro-isoquinoline
Order Number:A841055
Stock Status:in Stock
Quantity:10g/25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:52
Price ($):186.0/464.0

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Amadis Chemical Company Limited
(CAS:850197-72-7)6-Bromo-5-nitro-isoquinoline
A841055
Purity:99%/99%
Quantity:10g/25g
Price ($):186.0/464.0
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