Deuterium bromide solution - ≥99 atom% D, 47wt. % in D₂O , CAS No.13536-59-9

CAS: 13536-59-9 Cat. No.: D466613 Molecular Weight: 81.92 EC Number: 236-894-6 PubChem CID: 518779

GRADE & PURITY ≥99 atom% D, 47wt. % in D₂O

Synonyms

Hydrogen bromide, deuterated | MFCD00044232 | AKOS015904170 | (2H)bromane | Deuterium bromide | Deuterium bromide, 46 wt% in Deuterium oxide | Deuterium bromide, 99 atom % D | DTXSID501315998 | deutero-bromide | D Br | Hydrobromic acid-d | H0341 | EINECS

Storage

Room temperature

Specifications

Synonyms

Hydrogen bromide, deuterated | MFCD00044232 | AKOS015904170 | (2H)bromane | Deuterium bromide | Deuterium bromide, 46 wt% in Deuterium oxide | Deuterium bromide, 99 atom % D | DTXSID501315998 | deutero-bromide | D Br | Hydrobromic acid-d | H0341 | EINECS

Specifications & Purity

≥99 atom% D, 47wt. % in D₂O

Storage

Room temperature

Purity

≥99 atom% D

Names and Identifiers

• Canonical Smiles: Br
• IUPAC Name: (2H)bromane
• InChIKey: CPELXLSAUQHCOX-DYCDLGHISA-N
• INCHI: 1S/BrH/h1H/i/hD
• Isomeric SMILES: [2H]Br
• WGK Germany: 2
• PubChem CID: 518779
• Molecular Weight: 81.92

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Homogeneous non-metal compounds
    • Class Halogen organides
      • Subclass Halogen hydrides

• Kingdom: Inorganic compounds
• Superclass: Homogeneous non-metal compounds
• Class: Halogen organides
• Subclass: Halogen hydrides
• Intermediate Tree Nodes: Not available
• Direct Parent: Halogen hydrides
• Alternative Parents: Inorganic hydrides
• Molecular Framework: Not available
• Substituents: Halogen hydride - Inorganic hydride
• Description: This compound belongs to the class of inorganic compounds known as halogen hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen.
• 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

Chemical and Physical Properties

• Boil Point(°C): 126 °C
• Melt Point(°C): -87°C
• Molecular Weight: 81.920 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 80.9324 Da
• Monoisotopic Mass: 80.9324 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 1
• Formal Charge: 0
• Complexity: 0.000
• Isotope Atom Count: 1
• 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