6-Bromo-2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine - ≥95% , CAS No.1247726-85-7

CAS: 1247726-85-7 Cat. No.: B166718 Peso molecular: 318.4 PubChem CID: 46737830

GRADE & PURITY ≥95%

Synonyms

1247726-85-7 | AKOS015835391 | 4-(3-Chloro-2-methylphenyl)-1H-pyrazol-3-amine | 6-Bromo-2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | BS-27370 | MFCD12401631 | 6-Bromo-2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine,

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1247726-85-7 | AKOS015835391 | 4-(3-Chloro-2-methylphenyl)-1H-pyrazol-3-amine | 6-Bromo-2-chloro-3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridine | BS-27370 | MFCD12401631 | 6-Bromo-2-chloro-3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridine,

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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

• Pubchem Sid: 504770738
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770738
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)Br)Cl
• IUPAC Name: 6-bromo-2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• InChIKey: OLYSTLGBIZPJTL-UHFFFAOYSA-N
• INCHI: 1S/C11H14BBrClNO2/c1-10(2)11(3,4)17-12(16-10)7-5-6-8(13)15-9(7)14/h5-6H,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)Br)Cl
• WGK Alemania: 3
• PubChem CID: 46737830
• Peso molecular: 318.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl chlorides Aryl bromides Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organobromide - Organic metalloid moeity - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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: 318.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 316.999 Da
• Monoisotopic Mass: 316.999 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 287.000
• 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

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