Cas no 871269-03-3 (2-Acetamido-5-bromoisonicotinic acid)

2-Acetamido-5-bromoisonicotinic acid structure
871269-03-3 structure
Product Name:2-Acetamido-5-bromoisonicotinic acid
CAS No:871269-03-3
MF:C8H7BrN2O3
MW:259.056781053543
CID:720636
PubChem ID:7210831
Update Time:2024-10-26

2-Acetamido-5-bromoisonicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Acetamido-5-bromoisonicotinic acid
    • 2-acetamido-5-bromopyridine-4-carboxylic acid
    • 4-Pyridinecarboxylicacid, 2-(acetylamino)-5-bromo-
    • 2-(Acetylamino)-5-bromo-4-pyridinecarboxylic acid (ACI)
    • DTXSID70428414
    • BS-24093
    • CS-0084735
    • 2-acetamido-5-bromoisonicotinic acid, AldrichCPR
    • 5-bromo-2-acetamidopyridine-4-carboxylic acid
    • D74554
    • 871269-03-3
    • AKOS015837734
    • EN300-7388217
    • AB30801
    • 2-ACETAMIDO-5-BROMOISONICOTINICACID
    • MFCD07363802
    • MDL: MFCD07363802
    • Inchi: 1S/C8H7BrN2O3/c1-4(12)11-7-2-5(8(13)14)6(9)3-10-7/h2-3H,1H3,(H,13,14)(H,10,11,12)
    • InChI Key: CLUSCTBEWDBHAY-UHFFFAOYSA-N
    • SMILES: O=C(C1C(Br)=CN=C(NC(C)=O)C=1)O

Computed Properties

  • Exact Mass: 257.96400
  • Monoisotopic Mass: 257.964
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 247
  • 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: 79.3A^2
  • XLogP3: 0.6

Experimental Properties

  • Density: 1.793
  • Melting Point: 258-262
  • Boiling Point: 569.9°C at 760 mmHg
  • Flash Point: 298.4°C
  • Refractive Index: 1.658
  • PSA: 79.29000
  • LogP: 1.57370

2-Acetamido-5-bromoisonicotinic acid Security Information

  • Hazard Statement: Irritant/Keep Cold
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xi
  • Storage Condition:Keep cold

2-Acetamido-5-bromoisonicotinic acid 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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