1,2-Dichloroethane-d4 - ≥99 atom% D , CAS No.17060-07-0

CAS: 17060-07-0 Cat. No.: D115109 Formula: Cl₂C₂D₄ Molecular Weight: 102.98 EC Number: 627-507-5

GRADE & PURITY ≥99 atom% D

Synonyms

1,2-Dichloroethane D4|1,2-Dichloroethane D4; Ethane-1,1,2,2-d4, 1,2-dichloro- (8CI,9CI); Ethane-1,1,2,2-d4, dichloro- (7CI); 1,2-Dichloroethane-d4|Ethylene-d4 dichloride|1,2-Dichloroethane-d4|Ethane-1,1,2,2-d4,1,2-dichloro-(8ci,9ci)|Ethane-1,1,2,2-d4, 1,2-dichloro-|1,2-dichloro-1,1,2,2-tetradeuterioethane

Storage

Room temperature

Shipped In

Normal

Overview

1,2-Dichloroethane-d4 is 1,2-dichloroethane with all the hydrogen atoms replaced by deuterium. Its synthesis and structure elucidation by neutron diffraction measurements has been reported.
Application
1,2-Dichloroethane-d4 may be used:
As a NMR solvent.
As a surrogate standard during the analysis of volatile organic compounds (VOC) in water by gas chromatography-mass spectrometry (GC-MS).
As a chain termination reagent in the synthesis of poly(ethylene-d4 oxide).

Specifications

Synonyms

1,2-Dichloroethane D4 | 1,2-Dichloroethane D4; Ethane-1,1,2,2-d4, 1,2-dichloro- (8CI,9CI); Ethane-1,1,2,2-d4, dichloro- (7CI); 1,2-Dichloroethane-d4 | Ethylene-d4 dichloride | 1,2-Dichloroethane-d4 | Ethane-1,1,2,2-d4,1,2-dichloro-(8ci,9ci) | Ethane-1,1,2,2-d4, 1,2-dichloro- | 1,2-dichloro-1,1,2,2-tetradeuterioethane

Specifications & Purity

≥99 atom% D

Storage

Room temperature

Shipped In

Normal

Purity

≥99 atom% D

Names and Identifiers

Pubchem Sid

508806990

Canonical Smiles

C(CCl)Cl

IUPAC Name

1,2-dichloro-1,1,2,2-tetradeuterioethane

InChIKey

WSLDOOZREJYCGB-LNLMKGTHSA-N

INCHI

1S/C2H4Cl2/c3-1-2-4/h1-2H2/i1D2,2D2

Isomeric SMILES

[2H]C([2H])(C([2H])([2H])Cl)Cl

WGK Germany

3

UN Number

1184

Molecular Weight

102.98

Reaxy-Rn

605264

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605264&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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

• Solubility: Partially miscible with water.
• Sensitivity: Light sensitive,Hygroscopic
• x_refractive_index: 1.443
• x_flash_point_drop_fahrenheit: 60.8 °F
• x_flash_point_drop_centigrade: 16°C
• x_boil_point_char: 83°C
• x_melt_point_char: -35°C
• Molecular Weight: 102.980 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 101.994 Da
• Monoisotopic Mass: 101.994 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