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

CAS: 17060-07-0 Cat. No.: D115109 Formula: Cl₂C₂D₄ Peso molecolare: 102.98 Numero EC: 627-507-5

GRADE & PURITY ≥99 atom% D

Synonyms

1,2-Dichloroethane D4 | 1,2-Dichloroethane D4 2000 microg/mL in Methanol | 1,2-Dichloroethane D4 1000 microg/mL in Methanol | 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 | MF

Storage

Room temperature

Shipped In

Normal

Panoramica

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

Sinonimi

1,2-Dichloroethane D4 | 1,2-Dichloroethane D4 2000 microg/mL in Methanol | 1,2-Dichloroethane D4 1000 microg/mL in Methanol | 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 | MF

Specifiche e purezza

≥99 atom% D

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99 atom% D

Nomi e identificatori

• Pubchem Sid: 508806990
• Sorrisi canonici: 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
• Isomeri SMILES: [2H]C([2H])(C([2H])([2H])Cl)Cl
• WGK Germania: 3
• Numero UN: 1184
• Peso molecolare: 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
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Partially miscible with water.
• Sensibilità: Light sensitive,Hygroscopic
• Indice di rifrazione: 1.443
• Punto di infiammabilità (°F): 60.8 °F
• Punto di infiammabilità (°C): 16°C
• Punto di ebollizione (°C): 83°C
• Punto di fusione (°C): -35°C
• Peso molecolare: 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