1,1-Dibromopinacolone - ≥97% , CAS No.30263-65-1

CAS: 30263-65-1 Cat. No.: D303379 Summenformel: C₆H₁₀Br₂O Molekulargewicht: 257.95 EG-Nummer: 681-670-7

QUALITÄT & REINHEIT ≥97%

Synonyms

omega,omega-Dibrompinakolin [German] | BRN 1753206 | D95686 | Dibromopinacolin | WIPDATICDHNWKG-UHFFFAOYSA-N | FT-0638914 | MFCD00045030 | SY109324 | 1,1-Dibromopinacolone | NSC 195963 | NSC195963 | NSC-195963 | AS-63423 | omega,omega-Dibrompinakolin | 2-

Storage

Room temperature,Desiccated

Shipped In

Normal

Spezifikationen

Synonyme

omega,omega-Dibrompinakolin [German] | BRN 1753206 | D95686 | Dibromopinacolin | WIPDATICDHNWKG-UHFFFAOYSA-N | FT-0638914 | MFCD00045030 | SY109324 | 1,1-Dibromopinacolone | NSC 195963 | NSC195963 | NSC-195963 | AS-63423 | omega,omega-Dibrompinakolin | 2-

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504753538

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753538

Kanonisches Lächeln

CC(C)(C)C(=O)C(Br)Br

IUPAC Name

1,1-dibromo-3,3-dimethylbutan-2-one

InChIKey

WIPDATICDHNWKG-UHFFFAOYSA-N

INCHI

1S/C6H10Br2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3

Isomere SMILES

CC(C)(C)C(=O)C(Br)Br

Molekulargewicht

257.95

Reaxy-Rn

1753206

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753206&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Alpha-haloketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 96-97ºC 12mm
• Schmelzpunkt (°C): 71-73ºC
• Molekulargewicht: 257.950 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 257.908 Da
• Monoisotopic Mass: 255.91 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 113.000
• 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