1,2-Dichloroethylene - ≥98%, cis- and trans- mixture , CAS No.540-59-0

CAS: 540-59-0 Cat. No.: D303936 Summenformel: C₂H₂Cl₂ Molekulargewicht: 96.94 EG-Nummer: 208-750-2

GRADE & PURITY ≥98%, cis- and trans- mixture

Synonyms

Dioform | NCI-C56031 | Acetylene dichloride | 1,2-Dichloroethene | sym-Dichloroethylene | 1,2-Dichlor-aethen | 540-59-0 | Dichloro-1,2-ethylene | 1,2-Dichloroethylene, mixture of cis and trans

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice,FedEx DG Service

Übersicht

1, 2-dichloroethylene, a cis-trans isomer mixture can be used as a reactant: 

Chloroenyne is synthesized by Sonogashira coupling reaction with terminal alkynes. 

Trichloroethyl ketone was synthesized by Friedel-Crafts acylation reaction with acyl chloride in the presence of aluminum chloride. 

(vinylidene) bis [thiazoles] were synthesized with 2-(tribubutyltin) thiazoles by palladium-catalyzed Stille coupling reaction.

Specifications

Synonyme

Dioform | NCI-C56031 | Acetylene dichloride | 1,2-Dichloroethene | sym-Dichloroethylene | 1,2-Dichlor-aethen | 540-59-0 | Dichloro-1,2-ethylene | 1,2-Dichloroethylene, mixture of cis and trans

Spezifikationen & Reinheit

≥98%, cis- and trans- mixture

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice,FedEx DG Service

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488181219
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181219
• Kanonisches Lächeln: C(=CCl)Cl
• IUPAC Name: 1,2-dichloroethene
• InChIKey: KFUSEUYYWQURPO-UHFFFAOYSA-N
• INCHI: 1S/C2H2Cl2/c3-1-2-4/h1-2H
• Isomere SMILES: C(=CCl)Cl
• UN-Nummer: 1150
• Verpackungsgruppe: II
• Molekulargewicht: 96.94
• Reaxy-Rn: 1719345
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719345&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Vinyl halides
• Subclass: Vinyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl chlorides
• Alternative Parents: Chloroalkenes Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
• External Descriptors: a small molecule

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

Zugehörige Ziele (menschlich)

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Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air, light and moisture sensitive
• Brechungsindex: n20/D 1.447 (lit.)
• Flammpunkt (°C): 6 °C
• Siedepunkt (°C): 48-60 °C(lit.)
• Schmelzpunkt (°C): −57 °C (lit.)
• Molekulargewicht: 96.940 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 95.9534 Da
• Monoisotopic Mass: 95.9534 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 19.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referenzen

1. Junjie Cheng, Jie Hu, Jiawei Wang, Zefei Huang, Baoqian Ye.  (2022)  A Modified Porous Sponge with Selective Ability for Oil Removal from Oil-Water Mixtures.  ADSORPTION SCIENCE & TECHNOLOGY,      [PMID:] [10.1155/2022/4790592]

2. Lingling Zhang, Yi Liu, Xinyi Du, Di Zhu, Zhe Shi, Mang Lin, Biao Jin.  (2025)  Carbon isotope fractionation during volatilization of chlorinated organic compounds.  JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY,      [PMID:] [10.1039/D4JA00390J]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 540-59-0, the molecular formula is C2H2Cl2, and the molecular weight is 96.94 g/mol. InChIKey KFUSEUYYWQURPO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.