4-Hydroxybenzimidazole - ≥98% , CAS No.67021-83-4

CAS: 67021-83-4 Cat. No.: H404541 Formula: C₇H₆N₂O Molecular Weight: 134.14 EC Number: 800-880-3

GRADE & PURITY ≥98%

Synonyms

4-hydroxy-benzimidazol | 7-Hydroxy-1H-benzimidazole | 1H-Benzoimidazol-4-ol | MFCD00963978 | SCHEMBL1019602 | EN300-205050 | benzimidazol-4-ol | 1H-Benzoimidazol-4-ol, AldrichCPR | Z1198155823 | SY102128 | DTXSID70342742 | 1H-Benzimidazol-7-ol # | 1H-1,3-

Storage

Argon charged,Room temperature

Overview

Maximum Absorption Wavelength:261(HCl aq.)nm

Specifications

Synonyms

4-hydroxy-benzimidazol | 7-Hydroxy-1H-benzimidazole | 1H-Benzoimidazol-4-ol | MFCD00963978 | SCHEMBL1019602 | EN300-205050 | benzimidazol-4-ol | 1H-Benzoimidazol-4-ol, AldrichCPR | Z1198155823 | SY102128 | DTXSID70342742 | 1H-Benzimidazol-7-ol # | 1H-1,3-

Specifications & Purity

≥98%

Storage

Argon charged,Room temperature

Purity

≥98%

Names and Identifiers

Pubchem Sid

488190450

Canonical Smiles

C1=CC2=C(C(=C1)O)N=CN2

IUPAC Name

1H-benzimidazol-4-ol

InChIKey

DODRSIDSXPMYQJ-UHFFFAOYSA-N

INCHI

1S/C7H6N2O/c10-6-3-1-2-5-7(6)9-4-8-5/h1-4,10H,(H,8,9)

Isomeric SMILES

C1=CC2=C(C(=C1)O)N=CN2

Molecular Weight

134.14

Reaxy-Rn

3638

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3638&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• x_melt_point_char: 200 °C
• Molecular Weight: 134.140 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.048 Da
• Monoisotopic Mass: 134.048 Da
• Topological Polar Surface Area: 48.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1