1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one - ≥95% , CAS No.62780-89-6

CAS: 62780-89-6 Cat. No.: C479264 Peso molecular: 210.66 Número EC: 263-731-6

GRADE & PURITY ≥95%

Synonyms

ChemDiv2_000053 | EU-0066726 | FT-0640851 | 1-(3-Chloro-propyl)-1,3-dihydro-benzoimidaz ol-2-one | EN300-17637 | GUMPYDGUYXOYML-UHFFFAOYSA-N | HMS1369C09 | 3-(3-chloropropyl)-2,3-dihydro-1h-benzimidazole-2-one | 1-(3-chloro propyl)-2,3-dihydro-1H-benzimid

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

ChemDiv2_000053 | EU-0066726 | FT-0640851 | 1-(3-Chloro-propyl)-1, 3-dihydro-benzoimidaz ol-2-one | EN300-17637 | GUMPYDGUYXOYML-UHFFFAOYSA-N | HMS1369C09 | 3-(3-chloropropyl)-2, 3-dihydro-1h-benzimidazole-2-one | 1-(3-chloro propyl)-2, 3-dihydro-1H-benzimid

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

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(=O)N2CCCCl
• IUPAC Name: 3-(3-chloropropyl)-1H-benzimidazol-2-one
• InChIKey: GUMPYDGUYXOYML-UHFFFAOYSA-N
• INCHI: 1S/C10H11ClN2O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7H2,(H,12,14)
• Isómeros SMILES: C1=CC=C2C(=C1)NC(=O)N2CCCCl
• CAS alternativo: 115-125 °C
• Peso molecular: 210.66
• Reaxy-Rn: 784963
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=784963&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: N-substituted imidazoles Benzenoids Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Urea - Azacycle - Alkyl chloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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: 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

Propiedades químicas y físicas

• Peso molecular: 210.660 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 210.056 Da
• Monoisotopic Mass: 210.056 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• 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