2-Bromopropane-d6 - ≥98%(CP),≥98 atom% D , CAS No.52809-76-4

CAS: 52809-76-4 Cat. No.: B757622 Summenformel: C₃HD₆Br Molekulargewicht: 129.03 EG-Nummer: 694-196-0

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

2-Bromopropane-1,1,1,3,3,3-d6 | 2-Bromo-1,1,1,3,3,3-hexadeuteropropane

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

2-Bromopropane-1,1,1,3,3,3-d6 | 2-Bromo-1,1,1,3,3,3-hexadeuteropropane

Spezifikationen & Reinheit

≥98%(CP),≥98 atom% D

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥98%(CP),≥98 atom% D

Namen und Kennungen

• Pubchem Sid: 528757212
• Kanonisches Lächeln: CC(C)Br
• IUPAC Name: 2-bromo-1,1,1,3,3,3-hexadeuteriopropane
• InChIKey: NAMYKGVDVNBCFQ-WFGJKAKNSA-N
• INCHI: 1S/C3H7Br/c1-3(2)4/h3H,1-2H3/i1D3,2D3
• Isomere SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])Br
• Alternative CAS-Nummer: 75-26-3（unlabelled）
• UN-Nummer: 2344
• Verpackungsgruppe: II
• Molekulargewicht: 129.03
• Reaxy-Rn: 741852
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741852&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
• 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: 129.030 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 128.011 Da
• Monoisotopic Mass: 128.011 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 10.800
• Isotope Atom Count: 6
• 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