Cas no 20034-00-8 ((5-nitro-1H-1,3-benzodiazol-2-yl)methanol)

(5-Nitro-1H-1,3-benzodiazol-2-yl)methanol is a nitro-substituted benzimidazole derivative with a hydroxymethyl functional group at the 2-position. This compound is of interest in organic synthesis and pharmaceutical research due to its versatile reactivity, particularly as a precursor for further functionalization. The nitro group enhances electrophilic properties, facilitating nucleophilic substitution reactions, while the hydroxymethyl group allows for esterification or etherification. Its benzimidazole core contributes to potential biological activity, making it a candidate for medicinal chemistry applications. The compound is typically handled under controlled conditions due to its nitro group, which may pose stability concerns. It is commonly used in the development of heterocyclic scaffolds for drug discovery and materials science.
(5-nitro-1H-1,3-benzodiazol-2-yl)methanol structure
20034-00-8 structure
Product Name:(5-nitro-1H-1,3-benzodiazol-2-yl)methanol
CAS No:20034-00-8
MF:C8H7N3O3
MW:193.159481287003
MDL:MFCD00462582
CID:240669
PubChem ID:3744471
Update Time:2025-05-28

(5-nitro-1H-1,3-benzodiazol-2-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • (5-Nitro-1H-benzo[d]imidazol-2-yl)methanol
    • 5-Nitro-1H-benzimidazole-2-methanol
    • (5-Nitro-1H-benzimidazol-2-yl)methanol
    • 1H-Benzimidazole-2-methanol,6-nitro-
    • 6-nitro-1H-Benzimidazole-2-methanol
    • (5-Nitrobenzimidazol-2-yl)methanol
    • 1H-Benzimidazole-2-methanol,5-nitro- (9CI)
    • 2-Benzimidazolemethanol, 5(or 6)-nitro- (6CI)
    • 2-Benzimidazolemethanol, 5-nitro- (8CI)
    • 1H-Benzimidazole-2-methanol,5-nitro-(9CI)
    • (5-nitro-1H-1,3-benzodiazol-2-yl)methanol
    • 1H-Benzimidazole-2-methanol, 6-nitro-
    • (6-nitro-1H-benzimidazol-2-yl)methanol
    • 1H-Benzimidazole-2-methanol, 5-nitro-
    • ZJLPIDVKNQXTKN-UHFFFAOYSA-N
    • (5-nitrobenzimidazol-2-yl)methan-1-ol
    • {5-nitro-1H-benzimidazol-2-yl}methanol
    • Oprea1_814095
    • 5-Nitro-2-benzimidazolemethanol
    • CS-W002621
    • SY021945
    • EN300-44213
    • A879870
    • SR-01000392147-1
    • CHEMBL1896066
    • AB88018
    • NCGC00184565-02
    • NCGC00184565-01
    • DS-4287
    • AKOS000275039
    • (6-nitro-1H-benzoimidazol-2-yl)-methanol
    • SCHEMBL521103
    • BB 0219453
    • AC-29377
    • DTXSID90395831
    • AT-051/33970028
    • AM20120569
    • SR-01000392147
    • 20034-00-8
    • F0348-4627
    • (5-nitro-1h-benzoimidazol-2-yl)methanol
    • NCGC00184565-04
    • MFCD00462582
    • NCGC00184565-03
    • (5-nitro-1H-benzimidazol-2-yl)-methanol
    • ALBB-017602
    • STK369469
    • MDL： MFCD00462582
    • Inchi： 1S/C8H7N3O3/c12-4-8-9-6-2-1-5(11(13)14)3-7(6)10-8/h1-3,12H,4H2,(H,9,10)
    • InChI Key： ZJLPIDVKNQXTKN-UHFFFAOYSA-N
    • SMILES： OCC1=NC2C=CC(=CC=2N1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 193.04881
  • Monoisotopic Mass: 193.049
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 230
  • 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
  • XLogP3: 0.9
  • Topological Polar Surface Area: 94.7

Experimental Properties

  • Color/Form: No data available
  • Density: 1.599±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 517.5±30.0℃ / 13mmHg
  • Flash Point: 266.8±24.6 °C
  • Solubility: Slightly soluble (15 g/l) (25 o C),
  • PSA: 92.05
  • LogP: 1.48660

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Suzhou Senfeida Chemical Co., Ltd
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(CAS:20034-00-8)1H-Benzimidazole-2-methanol,5-nitro-(9CI)
Order Number:sfd20024
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
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Suzhou Senfeida Chemical Co., Ltd
(CAS:20034-00-8)1H-Benzimidazole-2-methanol,5-nitro-(9CI)
sfd20024
Purity:99.9%
Quantity:200kg
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