Cas no 84487-15-0 (2-bromo-5-nitro-pyridin-4-amine)

2-bromo-5-nitro-pyridin-4-amine structure
84487-15-0 structure
Product Name:2-bromo-5-nitro-pyridin-4-amine
CAS No:84487-15-0
MF:C5H4BrN3O2
MW:218.008159637451
MDL:MFCD11100588
CID:706881
PubChem ID:13040403
Update Time:2024-10-26

2-bromo-5-nitro-pyridin-4-amine Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-5-nitropyridin-4-amine
    • 4-Amino-2-bromo-5-nitropyridine
    • 4-Pyridinamine, 2-bromo-5-nitro-
    • (2-Bromo-5-nitropyridin-4-yl)amine
    • 2-bromo-5-nitro-4-pyridinamine
    • 2-BROMO-5-NITRO-PYRIDIN-4-YLAMINE
    • PubChem15368
    • 2-bromo-5-nitro-4-pyridineamine
    • KBAXIFACFUIWMK-UHFFFAOYSA-N
    • 2-bromanyl-5-nitro-pyridin-4-amine
    • PB12008
    • BC004002
    • AB0036959
    • ST2404236
    • Y4181
    • A84
    • 2-bromo-5-nitro-pyridin-4-amine
    • 2-Bromo-5-nitro-4-pyridinamine (ACI)
    • MDL： MFCD11100588
    • Inchi： 1S/C5H4BrN3O2/c6-5-1-3(7)4(2-8-5)9(10)11/h1-2H,(H2,7,8)
    • InChI Key： KBAXIFACFUIWMK-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C(N)=CC(Br)=NC=1)=O

Computed Properties

  • Exact Mass: 216.94900
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 160
  • Topological Polar Surface Area: 84.7

Experimental Properties

  • Density: 1.929±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (2.4 g/l) (25 o C),
  • PSA: 84.73000
  • LogP: 2.43890

2-bromo-5-nitro-pyridin-4-amine Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-bromo-5-nitro-pyridin-4-amine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid
Reference
Substituent effects on the isomer ratios in the rearrangement of some 2- and 4-nitraminopyridines
Deady, Leslie W.; et al, Australian Journal of Chemistry, 1982, 35(10), 2025-34

Production Method 2

Reaction Conditions
1.1 Reagents: Phosphoric tribromide Solvents: Acetonitrile ;  16 h, reflux
2.1 Reagents: Ammonium hydroxide Solvents: Tetrahydrofuran ;  1 h, 45 °C
Reference
Structure-Based Drug Design of Novel, Potent, and Selective Azabenzimidazoles (ABI) as ATR Inhibitors
Barsanti, Paul A.; et al, ACS Medicinal Chemistry Letters, 2015, 6(1), 42-46

Production Method 3

Reaction Conditions
1.1 Reagents: Nitric acid
2.1 Reagents: Sulfuric acid ,  Nitric acid
3.1 Reagents: Sulfuric acid
Reference
Substituent effects on the isomer ratios in the rearrangement of some 2- and 4-nitraminopyridines
Deady, Leslie W.; et al, Australian Journal of Chemistry, 1982, 35(10), 2025-34

Production Method 4

Reaction Conditions
1.1 Reagents: Ammonium hydroxide Solvents: Tetrahydrofuran ;  1 h, 45 °C
Reference
Structure-Based Drug Design of Novel, Potent, and Selective Azabenzimidazoles (ABI) as ATR Inhibitors
Barsanti, Paul A.; et al, ACS Medicinal Chemistry Letters, 2015, 6(1), 42-46

Production Method 5

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Nitric acid
2.1 Reagents: Sulfuric acid
Reference
Substituent effects on the isomer ratios in the rearrangement of some 2- and 4-nitraminopyridines
Deady, Leslie W.; et al, Australian Journal of Chemistry, 1982, 35(10), 2025-34

Production Method 6

Reaction Conditions
1.1 Reagents: tert-Butyl hydroperoxide ,  Potassium tert-butoxide ,  Ammonia Solvents: Tetrahydrofuran ;  -78 °C → -33 °C; 15 min, -33 °C; -33 °C → rt
1.2 Reagents: Ammonium chloride ;  rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  rt
2.1 Reagents: Phosphoric tribromide Solvents: Acetonitrile ;  16 h, reflux
3.1 Reagents: Ammonium hydroxide Solvents: Tetrahydrofuran ;  1 h, 45 °C
Reference
Structure-Based Drug Design of Novel, Potent, and Selective Azabenzimidazoles (ABI) as ATR Inhibitors
Barsanti, Paul A.; et al, ACS Medicinal Chemistry Letters, 2015, 6(1), 42-46

2-bromo-5-nitro-pyridin-4-amine Raw materials

2-bromo-5-nitro-pyridin-4-amine Preparation Products

2-bromo-5-nitro-pyridin-4-amine Related Literature

84487-15-0 (2-bromo-5-nitro-pyridin-4-amine) Related Products

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