5,6-Dimethoxybenzimidazole - ≥95% , CAS No.72721-02-9

CAS: 72721-02-9 Cat. No.: D698359 Formula: C₉H₁₀N₂O₂ Peso molecolare: 178.19 Numero EC: 676-939-0 PubChem CID: 601221

QUALITÀ & PUREZZA ≥95%

Synonyms

5,6-dimethoxy-1H-benzimidazole

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifiche

Sinonimi

5,6-dimethoxy-1H-benzimidazole

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

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Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

COC1=C(C=C2C(=C1)NC=N2)OC

IUPAC Name

5,6-dimethoxy-1H-benzimidazole

InChIKey

BTWUUHKQHOSMIN-UHFFFAOYSA-N

INCHI

1S/C9H10N2O2/c1-12-8-3-6-7(11-5-10-6)4-9(8)13-2/h3-5H,1-2H3,(H,10,11)

Isomeri SMILES

COC1=C(C=C2C(=C1)NC=N2)OC

PubChem CID

601221

Peso molecolare

178.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Anisoles Alkyl aryl ethers Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Anisole - Alkyl aryl ether - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: light & Moisture sensitive
• Peso molecolare: 178.190 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 178.074 Da
• Monoisotopic Mass: 178.074 Da
• Topological Polar Surface Area: 47.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 177.000
• 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