1-Bromopinacolone - ≥97% , CAS No.5469-26-1

CAS: 5469-26-1 Cat. No.: B135643 Formula: C₆H₁₁BrO Peso molecolare: 179.06 Beilstein Registry Number: 506485 Numero EC: 226-794-0

GRADE & PURITY ≥97%

Synonyms

2-BUTANONE, 1-BROMO-3,3-DIMETHYL- | 1-bromo -3,3-dimethylbutan-2-one | bromomethyl-tert-butylketone | DTXSID50203145 | EN300-21881 | Bromopinacolone | BRN 0506485 | 1-Bromopinacolone | 1-Bromopinacolone, >=97% | 4-bromo-2,2-dimethylbutan-3-one | BCP19288

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

1-Bromopinacolone is an α-bromoketone-aldehyde. Coupling of 1-bromopinacolone with various aldehyde electrophiles catalyzed by SmI2 has been reported. It acts as reversible competitive inhibitor for acetylcholinesterase, during hydrolysis of acetylcholine.

Specifications

Sinonimi

2-BUTANONE, 1-BROMO-3,3-DIMETHYL- | 1-bromo -3,3-dimethylbutan-2-one | bromomethyl-tert-butylketone | DTXSID50203145 | EN300-21881 | Bromopinacolone | BRN 0506485 | 1-Bromopinacolone | 1-Bromopinacolone, >=97% | 4-bromo-2,2-dimethylbutan-3-one | BCP19288

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504753046
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753046
• Sorrisi canonici: CC(C)(C)C(=O)CBr
• IUPAC Name: 1-bromo-3,3-dimethylbutan-2-one
• InChIKey: SAIRZMWXVJEBMO-UHFFFAOYSA-N
• INCHI: 1S/C6H11BrO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
• Isomeri SMILES: CC(C)(C)C(=O)CBr
• WGK Germania: 3
• RTECS: EL7010000
• Peso molecolare: 179.06
• Beilstein: 506485
• Reaxy-Rn: 506485
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506485&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Alpha-haloketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Alpha-haloketones
• Alternative Parents: Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O 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: Insoluble in water.
• Sensibilità: Air &light &heat sensitive
• Indice di rifrazione: n20/D 1.466
• Punto di infiammabilità (°F): 167 °F
• Punto di infiammabilità (°C): 66°C(lit.)
• Punto di ebollizione (°C): 188-194 °C
• Punto di fusione (°C): −10 °C
• Peso molecolare: 179.050 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 177.999 Da
• Monoisotopic Mass: 177.999 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 91.200
• 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