Bromal hydrate - ≥95% , CAS No.507-42-6

CAS: 507-42-6 Cat. No.: B1338978 Summenformel: C₂H₃Br₃O₂ Molekulargewicht: 298.76 EG-Nummer: 208-073-2

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C(C(Br)(Br)Br)(O)O
• IUPAC Name: 2,2,2-tribromoethane-1,1-diol
• InChIKey: NJHVMXFNIZTTBV-UHFFFAOYSA-N
• INCHI: 1S/C2H3Br3O2/c3-2(4,5)1(6)7/h1,6-7H
• Molekulargewicht: 298.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Halohydrins
      • Subclass Bromohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Halohydrins
• Subclass: Bromohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromohydrins
• Alternative Parents: Carbonyl hydrates Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bromohydrin - Carbonyl hydrate - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bromohydrins. These are alcohols substituted by a bromine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• 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: 298.760 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 297.766 Da
• Monoisotopic Mass: 295.768 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 56.400
• 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