2-Bromo-3-methylpyridine - ≥97% , CAS No.3430-17-9

CAS: 3430-17-9 Cat. No.: B110258 Summenformel: C₆H₆BrN Molekulargewicht: 172.02 Beilstein Registry Number: 20(5)5,536 EG-Nummer: 629-415-0

GRADE & PURITY ≥97%

Synonyms

2-bromo-3-methyl pyridine | AM62352 | Pyridine, 2-bromo-3-methyl- | SMR001347325 | SY008917 | DTXSID80277793 | AC-907/30003020 | BCP23299 | 4,5-dimethyl-1,3-thiazol-2-amine, AldrichCPR | AB00432342-05 | FT-0611419 | STR06862 | InChI=1/C6H6BrN/c1-5-3-2-4-8

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

2-bromo-3-methyl pyridine | AM62352 | Pyridine, 2-bromo-3-methyl- | SMR001347325 | SY008917 | DTXSID80277793 | AC-907/30003020 | BCP23299 | 4,5-dimethyl-1,3-thiazol-2-amine, AldrichCPR | AB00432342-05 | FT-0611419 | STR06862 | InChI=1/C6H6BrN/c1-5-3-2-4-8

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504757897
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757897
• Kanonisches Lächeln: CC1=C(N=CC=C1)Br
• IUPAC Name: 2-bromo-3-methylpyridine
• InChIKey: PZSISEFPCYMBDL-UHFFFAOYSA-N
• INCHI: 1S/C6H6BrN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
• Isomere SMILES: CC1=C(N=CC=C1)Br
• WGK Deutschland: 3
• Molekulargewicht: 172.02
• Beilstein: 20(5)5,536
• Reaxy-Rn: 107896
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107896&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Methylpyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Methylpyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.5670 to 1.5700
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 218-219°C
• Molekulargewicht: 172.020 g/mol
• XLogP3: 2.200
• 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