Benzimidazole-2-carbaldehyde - ≥95% , CAS No.3314-30-5

CAS: 3314-30-5 Cat. No.: H183754 Peso molecular: 146.15 Número EC: 222-004-3

GRADE & PURITY ≥95%

Synonyms

Benzimidazole-2-carbaldehyde | Acetic acid, 2-(dimethoxyphosphinyl)-, ethyl ester | NSC 405912 | 1H-Benzo(d)imidazole-2-carbaldehyde | Q27116911 | 2-Benzimidazolecarboxaldehyde | 2-Formylbenzimidazole | SCHEMBL9541649 | NSC405912 | NSC-405912 | EINECS 222

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Benzimidazole-2-carbaldehyde | Acetic acid, 2-(dimethoxyphosphinyl)-, ethyl ester | NSC 405912 | 1H-Benzo(d)imidazole-2-carbaldehyde | Q27116911 | 2-Benzimidazolecarboxaldehyde | 2-Formylbenzimidazole | SCHEMBL9541649 | NSC405912 | NSC-405912 | EINECS 222

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)NC(=N2)C=O
• IUPAC Name: 1H-benzimidazole-2-carbaldehyde
• InChIKey: DQOSJWYZDQIMGM-UHFFFAOYSA-N
• INCHI: 1S/C8H6N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,9,10)
• Isómeros SMILES: C1=CC=C2C(=C1)NC(=N2)C=O
• Peso molecular: 146.15
• Reaxy-Rn: 118915
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118915&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Aryl-aldehydes Benzenoids Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Aryl-aldehyde - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: 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: benzimidazolecarbaldehyde

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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive；air sensitive
• Peso molecular: 146.150 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.048 Da
• Monoisotopic Mass: 146.048 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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