Cas no 46006-36-4 (1H-1,3-benzodiazole-4-carboxylic acid)

1H-1,3-benzodiazole-4-carboxylic acid structure
46006-36-4 structure
Product Name:1H-1,3-benzodiazole-4-carboxylic acid
CAS No:46006-36-4
MF:C8H6N2O2
MW:162.145441532135
MDL:MFCD01823426
CID:55702
PubChem ID:2771758
Update Time:2025-04-18

1H-1,3-benzodiazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID
    • 1H-Benzimidazole-4-carboxylic acid
    • 1H-Benzimidazole-7-Carboxylic Acid
    • 1H-benzo[d]imidazole-4-carboxylic acid
    • 1H-Benzo[d]imidazole-7-carboxylic acid
    • 1H-1,3-benzodiazole-4-carboxylic acid
    • AKOS005152023
    • 1H-Benzimidazole-7-carboxylicacid
    • 7-benzimidazolylcarboxylic acid
    • MFCD01823426
    • SCHEMBL453513
    • BCP32363
    • W-202814
    • 1H-1,3-Benzimidazole-4-carboxylic acid
    • AKOS015919473
    • SY019421
    • AM20040518
    • benzimidazole-7-carboxilic acid
    • NCGC00342859-01
    • F8880-4943
    • Benzimidazole-4-carboxylicacid;4-Benzimidazolecarboxylic acid
    • FS-2575
    • CHEMBL130482
    • 1H-Benzimidazole-4-carboxylic acid, 97%
    • BB 0253713
    • benzimidazole-7-carboxylic acid
    • AC-25570
    • 46006-36-4
    • AB01334554-02
    • 1,3-benzimidazole-4-carboxylic acid
    • DTXSID90378068
    • Z1079087298
    • CS-D0827
    • 1,3-Benzodiazole-4-carboxylic acid
    • EN300-114001
    • FT-0647855
    • A7202
    • benzimidazole-4-carboxylic acid
    • DB-082459
    • STK691822
    • ALBB-018635
    • H57407
    • FB05897
    • 687-422-4
    • DTXCID50329096
    • MDL： MFCD01823426
    • Inchi： 1S/C8H6N2O2/c11-8(12)5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)(H,11,12)
    • InChI Key： VVQNAFBGAWCMLU-UHFFFAOYSA-N
    • SMILES： OC(C1=CC=CC2=C1N=CN2)=O

Computed Properties

  • Exact Mass: 162.04300
  • Monoisotopic Mass: 162.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 196
  • 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: 66A^2
  • XLogP3: 1

Experimental Properties

  • Density: 1.506
  • Boiling Point: 542.5°C at 760 mmHg
  • Flash Point: 281.9°C
  • Refractive Index: 1.743
  • PSA: 65.98000
  • LogP: 1.26110

1H-1,3-benzodiazole-4-carboxylic acid Security Information

  • Signal Word：Warning
  • Hazard Statement： H319
  • Warning Statement： P305+P351+P338
  • Hazardous Material transportation number：UN 3077 9 / PGIII
  • Hazard Category Code： 36-51
  • Safety Instruction： 53-26-61
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • Storage Condition：Sealed in dry,Room Temperature

1H-1,3-benzodiazole-4-carboxylic acid 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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1H-1,3-benzodiazole-4-carboxylic acid Production Method

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