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

CAS: 17060-07-0 Cat. No.: D115109 分子式: Cl₂C₂D₄ 分子量: 102.98 EC番号: 627-507-5

グレード＆純度 ≥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

概要

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).

仕様

同義語

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

仕様と純度

≥99 atom% D

保管条件

Room temperature

入荷

Normal

純度

≥99 atom% D

名前と識別子

パブケム・シド

508806990

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

UN番号

1184

分子量

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
    • 分類 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Partially miscible with water.
• 感度: Light sensitive,Hygroscopic
• 屈折率: 1.443
• 引火点（°F）: 60.8 °F
• 引火点（°C）: 16°C
• 沸点（°C）: 83°C
• 融点（°C）: -35°C
• 分子量: 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