cis-1,2-Dichloroethylene - ≥97% , CAS No.156-59-2

CAS: 156-59-2 Cat. No.: C470392 Molecular Weight: 96.94 EC Number: 205-859-7 PubChem CID: 643833

GRADE & PURITY ≥97%

Synonyms

cis-Dichloroethylene | cis-1,2-dce | R 1130c | cis-Acetylene dichloride

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

Description

cis-1,2-Dichloroethylene (cis-1,2-DCE) is generally used in the preparation of various enediynes for Bergman cyclization. Applications include the synthesis of:2-(6-substituted 3(Z)-hexen-1,5-diynyl)anilines to prepare corresponding substituted carbazoles.(Z)-1-aryl-3-henen-1,5-diynes to obtain the corresponding aryl substituted benzotriazoles.It is used as a linker to synthesize boron-dipyrromethene (BODIPY)-based photosensitizer for photodynamic therapy (PDT).cis-1,2-DCE can also be used as a precursor to synthesize intermediates of sporolide B.

Specifications

Synonyms

cis-Dichloroethylene | cis-1, 2-dce | R 1130c | cis-Acetylene dichloride

Specifications & Purity

≥97%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504759753
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759753
• Canonical Smiles: C(=C\Cl)\Cl
• IUPAC Name: (Z)-1,2-dichloroethene
• InChIKey: KFUSEUYYWQURPO-UPHRSURJSA-N
• INCHI: 1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-
• Isomeric SMILES: C(=C\Cl)\Cl
• PubChem CID: 643833
• UN Number: 1150
• Packing Group: II
• Molecular Weight: 96.94

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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: 1,2-dichloroethene

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

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture and Light sensitive
• Refractive Index: 1.449
• Boil Point(°C): 60 °C
• Melt Point(°C): −80 °C
• Molecular Weight: 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: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

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