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

CAS: 22581-63-1 Cat. No.: D118379 Formula: BrCD₂CD₂Br Molecular Weight: 191.89 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥98%(CP),≥98 atom% D

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(CP),≥98 atom% D

Names and Identifiers

Pubchem Sid

528753643

Canonical Smiles

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

Isomeric SMILES

[2H]C([2H])(C([2H])([2H])Br)Br

WGK Germany

3

Alternate CAS

106-93-4(unlabelled)

UN Number

1605

Molecular Weight

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
    • Class Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.536
• Boil Point(°C): 131-132°C
• Melt Point(°C): 9°C
• Molecular Weight: 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