3-Bromo-4-methylpyridine - ≥97% , CAS No.3430-22-6

CAS: 3430-22-6 Cat. No.: B107960 Peso molecular: 172.02 Beilstein Registry Number: 20(5)5,581 Número EC: 608-967-6

GRADE & PURITY ≥97%

Synonyms

MFCD00082592 | A4793 | W-202405 | 3-Bromo-4-methylpyridine, 96% | AM20070029 | 1-PYRROLIDIN-2-(N-CBZ-N-METHYL)AMINO-2-(3-INDOLE)ETHANE | BBL028165 | SCHEMBL314379 | AC-907/25014109 | PYRIDINE, 3-BROMO-4-METHYL- | SY005820 | 3-Bromo-4-methylpyridine | 3-Br

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

3-Bromo-4-methylpyridine may be used as a building block in the preparation of:

· substituted 4-(2,2-diphenylethyl)pyridine-N-oxides for use as potent phosphodiesterase type 4 (PDE4) inhibitors

· benzodiazepine site ligands bearing tricyclic pyridone moiety for human GABAA receptor

· a novel isomer of ascididemin

· 3-bromopyridine-4-carbonitrile

Specifications

Sinónimos

MFCD00082592 | A4793 | W-202405 | 3-Bromo-4-methylpyridine, 96% | AM20070029 | 1-PYRROLIDIN-2-(N-CBZ-N-METHYL)AMINO-2-(3-INDOLE)ETHANE | BBL028165 | SCHEMBL314379 | AC-907/25014109 | PYRIDINE, 3-BROMO-4-METHYL- | SY005820 | 3-Bromo-4-methylpyridine | 3-Br

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488191515
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191515
• Sonrisas canónicas: CC1=C(C=NC=C1)Br
• IUPAC Name: 3-bromo-4-methylpyridine
• InChIKey: GSQZOLXWFQQJHJ-UHFFFAOYSA-N
• INCHI: 1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
• Isómeros SMILES: CC1=C(C=NC=C1)Br
• WGK Alemania: 3
• Peso molecular: 172.02
• Beilstein: 20(5)5,581
• Reaxy-Rn: 878354
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878354&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
• 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

• Sensibilidad: Light sensitive.
• Índice de refracción: 1.56
• Punto de inflamación (°F): 174.2 °F
• Punto de inflamación (°C): 79 °C
• Punto de ebullición (°C): 199-200°C
• Peso molecular: 172.020 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 170.968 Da
• Monoisotopic Mass: 170.968 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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