Lombazole - ≥98% , CAS No.60628-98-0

CAS: 60628-98-0 Cat. No.: L1029574 Formula: C₂₂H₁₇ClN₂ Peso molecolare: 344.84 PubChem CID: 71742

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3Cl)N4C=CN=C4
• IUPAC Name: 1-[(2-chlorophenyl)-(4-phenylphenyl)methyl]imidazole
• InChIKey: DALSNPRWUFOYDT-UHFFFAOYSA-N
• INCHI: 1S/C22H17ClN2/c23-21-9-5-4-8-20(21)22(25-15-14-24-16-25)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,22H
• Isomeri SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3Cl)N4C=CN=C4
• PubChem CID: 71742
• Peso molecolare: 344.84

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Biphenyls and derivatives Chlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Biphenyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Imidazole - Heteroaromatic compound - Azole - Organoheterocyclic compound - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

• Peso molecolare: 344.800 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 344.108 Da
• Monoisotopic Mass: 344.108 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 401.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 60628-98-0, the molecular formula is C22H17ClN2, and the molecular weight is 344.84 g/mol. InChIKey DALSNPRWUFOYDT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.