6-Bromo-4-fluoro-1-isopropyl-2-methyl-1h-benzo[d]imidazole - ≥95% , CAS No.1231930-33-8

CAS: 1231930-33-8 Cat. No.: B180477 Peso molecular: 271.13 Número EC: 807-019-0

GRADE & PURITY ≥95%

Synonyms

BCP14302 | SB15065 | SJQZRZLUEGCXFN-UHFFFAOYSA-N | 6-Bromo-4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazole | DTXSID90719275 | 1H-BenziMidazole,6-broMo-4-fluoro-2-Methyl-1-(1-Methylethyl)- | AC-30667 | A1-04248 | 1231930-33-8 | 6-bromo-4-fluoro-2-methyl

Storage

Room temperature

Shipped In

Normal

Descripción general

Abemaciclib Impurity 1 (6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole) is a pharmaceutical intermediate used in the synthesis of various active compounds.

Specifications

Sinónimos

BCP14302 | SB15065 | SJQZRZLUEGCXFN-UHFFFAOYSA-N | 6-Bromo-4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazole | DTXSID90719275 | 1H-BenziMidazole, 6-broMo-4-fluoro-2-Methyl-1-(1-Methylethyl)- | AC-30667 | A1-04248 | 1231930-33-8 | 6-bromo-4-fluoro-2-methyl

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1=NC2=C(N1C(C)C)C=C(C=C2F)Br
• IUPAC Name: 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
• InChIKey: SJQZRZLUEGCXFN-UHFFFAOYSA-N
• INCHI: 1S/C11H12BrFN2/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15/h4-6H,1-3H3
• Isómeros SMILES: CC1=NC2=C(N1C(C)C)C=C(C=C2F)Br
• Peso molecular: 271.13
• Reaxy-Rn: 20351263
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20351263&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 Aryl fluorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - 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: 271.130 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 270.017 Da
• Monoisotopic Mass: 270.017 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 237.000
• 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