Cas no 40332-16-9 (2-(1H-1,3-benzodiazol-1-yl)acetic acid)

2-(1H-1,3-benzodiazol-1-yl)acetic acid structure
40332-16-9 structure
Product Name:2-(1H-1,3-benzodiazol-1-yl)acetic acid
CAS No:40332-16-9
MF:C9H8N2O2
MW:176.172021865845
MDL:MFCD00956879
CID:328434
PubChem ID:805645
Update Time:2025-04-19

2-(1H-1,3-benzodiazol-1-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(1H-Benzo[d]imidazol-1-yl)acetic acid
    • 1H-Benzimidazole-1-acetic acid
    • 2-(1H-Benzimidazol-1-yl)acetic acid
    • 2-(Benzimidazole-1-yl)-acetic acid
    • Benzoimidazol-1-ylacetic acid
    • BENZOIMIDAZOL-1-YL-ACETIC ACID
    • C9H8N2O2
    • (1H-Benzimidazol-1-yl)acetic acid
    • 2-(benzimidazol-1-yl)acetic acid
    • 2-(1H-1,3-benzodiazol-1-yl)acetic acid
    • 40332-16-9
    • F17331
    • MFCD00956879
    • benzoimidazol-1-yl-acetic acid, AldrichCPR
    • AMY11625
    • Oprea1_224520
    • 1-(carboxymethyl) benzimidazole
    • Benzimidazole-1-Acetic Acid
    • CS-0045375
    • BB 0219665
    • AKOS000114793
    • SS-4046
    • SY078971
    • A6752
    • 1H-benzimidazol-1-ylacetic acid
    • EN300-00814
    • 2-(1H-benzo[d]imidazol-1-yl)acetic acid;Benzimidazole-1-acetic Acid
    • FT-0639639
    • 2-(1-benzimidazolyl)acetic acid
    • benzimidazoline-3-acetic acid
    • F0356-0370
    • J-505337
    • SCHEMBL1035783
    • A820170
    • benzimidazol-1-ylacetic acid
    • 2-(benzimidazol-1-yl)ethanoic acid
    • CHEMBL1213524
    • Oprea1_141483
    • DTXSID90355551
    • DB-031219
    • 1,3-benzodiazol-1-ylacetic acid
    • BBL012967
    • ALBB-004701
    • STK415819
    • MDL: MFCD00956879
    • Inchi: 1S/C9H8N2O2/c12-9(13)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6H,5H2,(H,12,13)
    • InChI Key: AFHSZBKDUTWXDX-UHFFFAOYSA-N
    • SMILES: OC(CN1C=NC2C=CC=CC1=2)=O

Computed Properties

  • Exact Mass: 176.05900
  • Monoisotopic Mass: 176.058578
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 208
  • 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: 55.1
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.35
  • Boiling Point: 406.3℃ at 760 mmHg
  • Flash Point: 199.5°C
  • Refractive Index: 1.65
  • PSA: 55.12000
  • LogP: 1.12090

2-(1H-1,3-benzodiazol-1-yl)acetic acid Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-(1H-1,3-benzodiazol-1-yl)acetic 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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