2-Bromo-5-Acetylpyridine - ≥97% , CAS No.139042-59-4

CAS: 139042-59-4 Cat. No.: B115765 Formula: C₇H₆BrNO Peso molecolare: 200.03 Numero EC: 628-397-1

GRADE & PURITY ≥97%

Synonyms

FT-0649663 | SY007796 | 3-Acetyl-6-bromopyridine | 2-BROMO-5-ACETYLPYRIDINE | 1-(6-bromopyridin-3-yl)ethan-1-one | A25568 | 5-Acetyl-2-bromopyridine, 97% | AC-152 | AM20070122 | HY-60206 | 1-(6-bromo-3-pyridyl)ethanone | AKOS005258858 | DTXSID00185947 | S

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

FT-0649663 | SY007796 | 3-Acetyl-6-bromopyridine | 2-BROMO-5-ACETYLPYRIDINE | 1-(6-bromopyridin-3-yl)ethan-1-one | A25568 | 5-Acetyl-2-bromopyridine, 97% | AC-152 | AM20070122 | HY-60206 | 1-(6-bromo-3-pyridyl)ethanone | AKOS005258858 | DTXSID00185947 | S

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488198950

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198950

Sorrisi canonici

CC(=O)C1=CN=C(C=C1)Br

IUPAC Name

1-(6-bromopyridin-3-yl)ethanone

InChIKey

MUKKGHQBUKOMTD-UHFFFAOYSA-N

INCHI

1S/C7H6BrNO/c1-5(10)6-2-3-7(8)9-4-6/h2-4H,1H3

Isomeri SMILES

CC(=O)C1=CN=C(C=C1)Br

WGK Germania

3

Peso molecolare

200.03

Reaxy-Rn

5328913

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5328913&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: 2-halopyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - 2-halopyridine - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 123-127°C
• Peso molecolare: 200.030 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.963 Da
• Monoisotopic Mass: 198.963 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 138.000
• 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