Cas no 93521-65-4 (Methyl 5-Nitro-1H-benzodimidazole-2-carboxylate)

Methyl 5-Nitro-1H-benzodimidazole-2-carboxylate structure
93521-65-4 structure
Product Name:Methyl 5-Nitro-1H-benzodimidazole-2-carboxylate
CAS No:93521-65-4
MF:C9H7N3O4
MW:221.169581651688
MDL:MFCD22683322
CID:1057258
PubChem ID:18550963
Update Time:2024-10-26

Methyl 5-Nitro-1H-benzodimidazole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-nitro-1H-benzo[d]imidazole-2-carboxylate
    • Methyl 5-Nitro-1H-benzimidazole-2-carboxylate
    • 2-methoxycarbonyl-5(6)nitrobenzimidazole
    • 6-nitro-1H-Benzimidazole-2-carboxylic acid methyl ester
    • 2-(Methoxycarbonyl)-5-nitrobenzimidazole
    • methyl 6-nitro-1H-benzimidazole-2-carboxylate
    • 1H-Benzimidazole-2-carboxylic acid, 5-nitro-, methyl ester
    • 7122AJ
    • TRA0043780
    • SY021944
    • AK142271
    • BC6249920
    • AX8269043
    • AB0058762
    • ST24048020
    • AM20130038
    • Methyl5-Nitro-1H-benzimidazole-2-carboxylate
    • Methyl-5-nitro-1H-benzimidazole-2-carboxylate
    • 1H-Benzimidazole-2-carboxylic acid, 5-nitro-, methyl ester (9CI)
    • Methyl 6-nitro-1H-benzimidazole-2-carboxylate (ACI)
    • CS-0044454
    • SCHEMBL6324064
    • METHYL 5-NITRO-1H-1,3-BENZODIAZOLE-2-CARBOXYLATE
    • CS-11466
    • AKOS022174843
    • AC-29376
    • DB-359665
    • 93521-65-4
    • MFCD22683322
    • Methyl 5-Nitro-1H-benzodimidazole-2-carboxylate
    • MDL： MFCD22683322
    • Inchi： 1S/C9H7N3O4/c1-16-9(13)8-10-6-3-2-5(12(14)15)4-7(6)11-8/h2-4H,1H3,(H,10,11)
    • InChI Key： YXDYHFYQRLFAFN-UHFFFAOYSA-N
    • SMILES： O=C(C1NC2C(=CC=C([N+](=O)[O-])C=2)N=1)OC

Computed Properties

  • Exact Mass: 221.04400
  • Monoisotopic Mass: 221.04365571g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 304
  • 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: 101
  • XLogP3: 1.5

Experimental Properties

  • Density: 1.527±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.29 g/l) (25 o C),
  • PSA: 100.80000
  • LogP: 1.78090

Methyl 5-Nitro-1H-benzodimidazole-2-carboxylate Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Methyl 5-Nitro-1H-benzodimidazole-2-carboxylate Pricemore >>

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Methyl 5-Nitro-1H-benzodimidazole-2-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium carbonate ;  4 h, reflux
1.2 Reagents: Sodium bicarbonate ;  4 h, reflux
1.3 Reagents: Hydrochloric acid Solvents: Water
Reference
Preparation of (pyrazol-4-yl)(1H-indol-2-yl)methanone derivatives useful as FGFR kinase inhibitors for the treatment of cancer
, World Intellectual Property Organization, , ,

Methyl 5-Nitro-1H-benzodimidazole-2-carboxylate Raw materials

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