4-(Brommethyl)-2，2-dimethyl-1，3-dioxolan - ≥95% , CAS No.36236-76-7

CAS: 36236-76-7 Cat. No.: D696124 Summenformel: C₆H₁₁BrO₂ Molekulargewicht: 195.05 EG-Nummer: 831-726-3 PubChem CID: 169759

QUALITÄT & REINHEIT ≥95%

Synonyms

4-(Bromomethyl)-2,2-dimethyl-1,3-dioxalane | 4-(BroMoMethyl)-2,2-diMethyl-1,3-dioxolane | DL-Isopropylideneglycerol-1-bromohydrin | 1,3-Dioxolane, 4-(bromomethyl)-2,2-dimethyl-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Spezifikationen

Synonyme

4-(Bromomethyl)-2,2-dimethyl-1,3-dioxalane | 4-(BroMoMethyl)-2,2-diMethyl-1,3-dioxolane | DL-Isopropylideneglycerol-1-bromohydrin | 1,3-Dioxolane, 4-(bromomethyl)-2,2-dimethyl-

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CC1(OCC(O1)CBr)C

IUPAC Name

4-(bromomethyl)-2,2-dimethyl-1,3-dioxolane

InChIKey

ZOPZKFNSQYCIPP-UHFFFAOYSA-N

INCHI

1S/C6H11BrO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3

Isomere SMILES

CC1(OCC(O1)CBr)C

PubChem CID

169759

Molekulargewicht

195.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers
        • Ebene5 Acetals
          • Ebene6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: 1,3-dioxolanes Oxacyclic compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

• Molekulargewicht: 195.050 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 193.994 Da
• Monoisotopic Mass: 193.994 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1