Cas no 139742-50-0 (4-(1H-Benzimidazol-1-ylmethyl)benzoic Acid)

4-(1H-Benzimidazol-1-ylmethyl)benzoic Acid structure
139742-50-0 structure
Product Name:4-(1H-Benzimidazol-1-ylmethyl)benzoic Acid
CAS No:139742-50-0
MF:C15H12N2O2
MW:252.267983436584
MDL:MFCD02180372
CID:841317
PubChem ID:2735444
Update Time:2025-04-19

4-(1H-Benzimidazol-1-ylmethyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-((1H-Benzo[d]imidazol-1-yl)methyl)benzoic acid
    • 4-(1H-BENZIMIDAZOL-1-YLMETHYL)BENZOIC ACID
    • 4-(BENZIMIDAZOL-1-YLMETHYL)BENZOIC ACID
    • BUTTPARK 95\04-39
    • 4-(1H-1,3-benzodiazol-1-ylmethyl)benzoic acid
    • 4-(benzimidazol-1-ylmethyl)-benzoic acid
    • 4-[(1H-Benzimidazol-1-yl)methyl]benzoic acid
    • 4-Benzoimidazol-1-ylmethylbenzoic acid
    • Maybridge1_005258
    • MFCD02180372
    • EN300-26278
    • CS-0270444
    • 4-(1,3-benzodiazol-1-ylmethyl)benzoic acid
    • Benzoic acid, 4-(1H-benzimidazol-1-ylmethyl)-
    • CHEMBL439834
    • DTXSID10370726
    • AKOS000118042
    • Oprea1_050403
    • 4-(1H-benzimidazol-1-ylmethyl)benzoic acid, AldrichCPR
    • HMS556G22
    • PS-6014
    • 139742-50-0
    • DB-004708
    • SCHEMBL1750364
    • 4-[(1H-1,3-benzodiazol-1-yl)methyl]benzoic acid
    • 4-[(1H-benzoimidazol-1-yl)methyl]benzoic acid
    • CCG-248420
    • W-205539
    • Z54581482
    • KLIANJXCGMBICV-UHFFFAOYSA-N
    • 4-(1H-Benzimidazol-1-ylmethyl)benzoic Acid
    • MDL: MFCD02180372
    • Inchi: 1S/C15H12N2O2/c18-15(19)12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2,(H,18,19)
    • InChI Key: KLIANJXCGMBICV-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)CN1C=NC2C=CC=CC1=2)=O

Computed Properties

  • Exact Mass: 252.09000
  • Monoisotopic Mass: 252.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 326
  • 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: 55.1A^2
  • XLogP3: 2.6

Experimental Properties

  • Density: 1.27
  • Melting Point: 263-265°C
  • Boiling Point: 505°C at 760 mmHg
  • Flash Point: 259.2°C
  • Refractive Index: 1.653
  • PSA: 55.12000
  • LogP: 2.78280

4-(1H-Benzimidazol-1-ylmethyl)benzoic Acid Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 36/37/38-36
  • Safety Instruction: S26
  • Hazardous Material Identification: Xi
  • Safety Term:S26-36/37/39
  • Risk Phrases:R36/37/38

4-(1H-Benzimidazol-1-ylmethyl)benzoic 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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4-(1H-Benzimidazol-1-ylmethyl)benzoic Acid Production Method

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