Cas no 891842-50-5 (2-Bromo-6-chloroquinoline)

2-Bromo-6-chloroquinoline structure
2-Bromo-6-chloroquinoline structure
Product Name:2-Bromo-6-chloroquinoline
CAS No:891842-50-5
MF:C9H5BrClN
MW:242.499700307846
MDL:MFCD09261123
CID:69366
PubChem ID:17933523
Update Time:2024-10-26

2-Bromo-6-chloroquinoline Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-6-chloroquinoline
    • 2-Bromo-6-chloro-quinoline
    • Quinoline, 2-bromo-6-chloro-
    • 2-bromanyl-6-chloranyl-quinoline
    • 2--bromo-6--chloroquinoline
    • Quinoline,2-bromo-6-chloro
    • 891842-50-5
    • CZRQPBUNCHUQAN-UHFFFAOYSA-N
    • SB69453
    • MFCD09261123
    • DTXSID20591642
    • CS-0225349
    • SCHEMBL3304612
    • EN300-1234953
    • A843085
    • AKOS015904359
    • 2-Bromo-6-chloroquinoline (ACI)
    • HS-6019
    • MDL: MFCD09261123
    • Inchi: 1S/C9H5BrClN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H
    • InChI Key: CZRQPBUNCHUQAN-UHFFFAOYSA-N
    • SMILES: ClC1C=C2C(N=C(C=C2)Br)=CC=1

Computed Properties

  • Exact Mass: 240.92900
  • Monoisotopic Mass: 240.92939g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 165
  • 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: nothing
  • XLogP3: 3.8
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • Density: 1.673
  • PSA: 12.89000
  • LogP: 3.65070

2-Bromo-6-chloroquinoline Security Information

  • Hazard Category Code: 41
  • Safety Instruction: 26-39

2-Bromo-6-chloroquinoline 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%

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2-Bromo-6-chloroquinoline Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Dimethylformamide ,  Phosphoric tribromide Solvents: Dichloromethane ;  0 °C; 0 °C → 25 °C; < 6 h, 25 °C
1.2 Reagents: Sodium carbonate Solvents: Water ;  pH 7 - 8, 25 °C
Reference
A highly practical and convenient halogenation of fused heterocyclic N-oxides
Wang, Dong; Wang, Yuxi; Zhao, Junjie; Li, Linna; Miao, Longfei; et al, Tetrahedron, 2016, 72(38), 5762-5768

Production Method 2

Reaction Conditions
1.1 Reagents: Tetrabutylammonium bromide Solvents: Dichloromethane ;  10 min, rt
1.2 Reagents: p-Toluenesulfonic anhydride ;  overnight, rt
Reference
Regioselective Bromination of Fused Heterocyclic N-Oxides
Wengryniuk, Sarah E.; Weickgenannt, Andreas; Reiher, Christopher; Strotman, Neil A.; Chen, Ke; et al, Organic Letters, 2013, 15(4), 792-795

2-Bromo-6-chloroquinoline Raw materials

2-Bromo-6-chloroquinoline Preparation Products

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