1,2-Dibromoethane-d₄ - ≥98%(CP),≥98 atom% D , CAS No.22581-63-1

CAS: 22581-63-1 Cat. No.: D118379 Summenformel: BrCD₂CD₂Br Molekulargewicht: 191.89 EG-Nummer: 245-102-8

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

PAAZPARNPHGIKF-LNLMKGTHSA-N | 1,2-dibromo-1,1,2,2-tetradeuterioethane | 1,2-Dibromoethane-d4 | AKOS015903426 | dibromo(?H?)ethane | 1,2-Dibromoethane-d4, 99 atom % D | EINECS 245-102-8 | Dibromoethane-d4 | 1,2-Dibromo-(1,1,2,2-2H4)ethane | 1,2-Dibromoetha

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

1,2-Dibromoethane-d4 is a deuterium labeled 1,2-Dibromoethane.

Specifications

Synonyme

PAAZPARNPHGIKF-LNLMKGTHSA-N | 1,2-dibromo-1,1,2,2-tetradeuterioethane | 1,2-Dibromoethane-d4 | AKOS015903426 | dibromo(?H?)ethane | 1,2-Dibromoethane-d4, 99 atom % D | EINECS 245-102-8 | Dibromoethane-d4 | 1,2-Dibromo-(1,1,2,2-2H4)ethane | 1,2-Dibromoetha

Spezifikationen & Reinheit

≥98%(CP),≥98 atom% D

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%(CP),≥98 atom% D

Namen und Kennungen

• Pubchem Sid: 528753643
• Kanonisches Lächeln: C(CBr)Br
• IUPAC Name: 1,2-dibromo-1,1,2,2-tetradeuterioethane
• InChIKey: PAAZPARNPHGIKF-LNLMKGTHSA-N
• INCHI: 1S/C2H4Br2/c3-1-2-4/h1-2H2/i1D2,2D2
• Isomere SMILES: [2H]C([2H])(C([2H])([2H])Br)Br
• WGK Deutschland: 3
• Alternative CAS-Nummer: 106-93-4(unlabelled)
• UN-Nummer: 1605
• Molekulargewicht: 191.89
• Reaxy-Rn: 605266
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605266&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

• Brechungsindex: 1.536
• Siedepunkt (°C): 131-132°C
• Schmelzpunkt (°C): 9°C
• Molekulargewicht: 191.890 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 191.891 Da
• Monoisotopic Mass: 189.893 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 6.000
• Isotope Atom Count: 4
• 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

Referenzen

1. Lei Yu, Ping Liu, Ya-Lan Wang, Qiong-Wei Yu, Bi-Feng Yuan, Yu-Qi Feng.  (2015)  Profiling of aldehyde-containing compounds by stable isotope labelling-assisted mass spectrometry analysis.  ANALYST,  140  (15): (5276-5286).  [PMID:26086784] [10.1039/C5AN00657K]

2. Shu-Jian Zheng, Ya-Lan Wang, Ping Liu, Zheng Zhang, Lei Yu, Bi-Feng Yuan, Yu-Qi Feng.  (2017)  Stable isotope labeling-solid phase extraction-mass spectrometry analysis for profiling of thiols and aldehydes in beer.  FOOD CHEMISTRY,      [PMID:28764013] [10.1016/j.foodchem.2017.05.090]