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

CAS: 540-59-0 Cat. No.: D303936 Fórmula: C₂H₂Cl₂ Peso molecular: 96.94 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%, cis- and trans- mixture

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice,FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181219
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181219
• Sonrisas canónicas: C(=CCl)Cl
• IUPAC Name: 1,2-dichloroethene
• InChIKey: KFUSEUYYWQURPO-UHFFFAOYSA-N
• INCHI: 1S/C2H2Cl2/c3-1-2-4/h1-2H
• Isómeros SMILES: C(=CCl)Cl
• Número ONU: 1150
• Grupo de embalaje: II
• Peso molecular: 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
    • Clase Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air, light and moisture sensitive
• Índice de refracción: n20/D 1.447 (lit.)
• Punto de inflamación (°C): 6 °C
• Punto de ebullición (°C): 48-60 °C(lit.)
• Punto de fusión (°C): −57 °C (lit.)
• Peso molecular: 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

Referencias

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]

Preguntas frecuentes

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.