Cas no 849776-47-2 (1H-Benzimidazole-2-carboxylic acid monohydrate)

1H-Benzimidazole-2-carboxylic acid monohydrate structure
849776-47-2 structure
Product Name:1H-Benzimidazole-2-carboxylic acid monohydrate
CAS No:849776-47-2
MF:C8H8N2O3
MW:180.16072177887
CID:716747
PubChem ID:329762853
Update Time:2024-12-09

1H-Benzimidazole-2-carboxylic acid monohydrate Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-2-carboxylic acid hydrate
    • 1H-1,3-BENZIMIDAZOLE-2-CARBOXYLIC ACID
    • 1H-Benzimidazole-2-carboxylic acid monohydrate
    • 1H-Benzimidazole-2-carboxylicacid, hydrate (1:1)
    • 2-Carboxy-1H-benzimidazole hydrate
    • 1H-Benzimidazole-2-carboxylic acid, monohydrate (9CI)
    • 1H-Benzo[d]imidazole-2-carboxylic acid hydrate
    • DTXSID70594466
    • YQHUUYLPOCNBKD-UHFFFAOYSA-N
    • J-504655
    • F0001-2142
    • Benzimidazole-2-carboxylic acid monohydrate
    • GEO-00260
    • CS-0456200
    • 849776-47-2
    • GS-0592
    • 1H-Benzo[d]imidazole-2-carboxylicacidhydrate
    • SCHEMBL16239370
    • 1H-benzimidazole-2-carboxylic acid;hydrate
    • 1H-Benzimidazole-2-carboxylic acid monohydrate, 97%
    • 1H-Benzimidazole-2-carboxylic acid--water (1/1)
    • AKOS024258193
    • 1H-1,3-benzodiazole-2-carboxylic acid hydrate
    • MDL: MFCD07368500
    • Inchi: 1S/C8H6N2O2.H2O/c11-8(12)7-9-5-3-1-2-4-6(5)10-7;/h1-4H,(H,9,10)(H,11,12);1H2
    • InChI Key: YQHUUYLPOCNBKD-UHFFFAOYSA-N
    • SMILES: O=C(C1NC2C(=CC=CC=2)N=1)O.O

Computed Properties

  • Exact Mass: 180.05300
  • Monoisotopic Mass: 180.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 196
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 67?2

Experimental Properties

  • Melting Point: 169-171°C
  • Boiling Point: 539.3°C at 760 mmHg
  • Flash Point: 280°C
  • PSA: 75.21000
  • LogP: 1.19680

1H-Benzimidazole-2-carboxylic acid monohydrate Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H318
  • Warning Statement: P280-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 41
  • Safety Instruction: 26-39
  • Hazardous Material Identification: Xi

1H-Benzimidazole-2-carboxylic acid monohydrate 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%

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