(Z)-1,2-Dichloroethylene (CED0037485)

Record Information

Version

1.0

Creation Date

2016-05-22 03:48:42 UTC

Update Date

2026-04-16 23:02:11 UTC

Accession Number

CHEM016949

Identification

Common Name

(Z)-1,2-Dichloroethylene

Class

Small Molecule

Description

(Z)-1,2-Dichloroethylene is an organic compound with the chemical formula C2H2Cl2 and an average molecular weight of 96.94 g/mol. (Z)-1,2-Dichloroethylene belongs to the vinyl chlorides, a subclass of vinyl halides within the organic compounds. In industrial applications, this substance is utilized as a solvent.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(Z)-1,2-Dichloroethylene	ChEBI
cis-1,2-Dichloroethylene	ChEBI
cis-Acetylene dichloride	ChEBI
cis-Dichloroethylene	ChEBI
1,2-Dichloroethene	MeSH
1,2-Dichloroethylene, (e)-isomer	MeSH
1,2-Dichloroethylene	MeSH
1,2-Dichloroethylene, (Z)-isomer	MeSH

Chemical Formula

C₂H₂Cl₂

Average Molecular Mass

96.943 g/mol

Monoisotopic Mass

95.953 g/mol

CAS Registry Number

156-59-2

IUPAC Name

(Z)-1,2-dichloroethene

Traditional Name

cis-1,2-dichloroethene

SMILES

Cl\C=C/Cl

InChI Identifier

InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-

InChI Key

KFUSEUYYWQURPO-UPHRSURJSA-N

Chemical Taxonomy

Description

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.

Kingdom

Organic compounds

Super Class

Organohalogen compounds

Class

Vinyl halides

Sub Class

Vinyl chlorides

Direct Parent

Vinyl chlorides

Alternative Parents

Substituents

Chloroalkene
Haloalkene
Vinyl chloride
Hydrocarbon derivative
Organochloride
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

1,2-dichloroethene (CHEBI:28805 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	6.43 g/L	ALOGPS
logP	1.85	ALOGPS
logP	1.74	ChemAxon
logS	-1.2	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	19.58 m³·mol⁻¹	ChemAxon
Polarizability	7.49 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-c9fdfc15f1ccbff5ce7d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-54422779dce25776f3b4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-04c61d11ae47815e6b36	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-aa0004925bd4f501180b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-e71490525ce311855165	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-28fe12f941e45c2f6776	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
273.0	Log mg/kg	[150:490]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Dihydropyrimidine dehydrogenase [NADP(+)]	Q12882	Humans	Predicted (SEA)	3260.64
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	7784.46
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	7783.99
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	7784.38
Click to view 3D structure	Acetylcholine receptor subunit beta-like 2	P25162	Drosophila melanogaster	Predicted (SEA)	7734.79
Click to view 3D structure	Type IV secretion-like conjugative transfer relaxase protein TraI	B1LRJ1	Escherichia coli (strain SMS-3-5 / SECEC)	Predicted (SEA)	546.112
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Serine/threonine-protein kinase Nek2	P51955	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	LIM domain kinase 1	P53667	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Death-associated protein kinase 3	O43293	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Protein phosphatase 1 regulatory subunit 15A	O75807	Humans	Predicted (SEA)	5992.37
Click to view 3D structure	Protein phosphatase 1 regulatory subunit 15B	Q5SWA1	Humans	Predicted (SEA)	5992.37
Click to view 3D structure	Xanthine dehydrogenase	O54050	Rhodobacter capsulatus	Predicted (SEA)	5390.67
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	7784.38
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Serine/threonine-protein kinase PLK4	O00444	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Serine/threonine-protein kinase PLK3	Q9H4B4	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase receptor Ret	P07949	Humans	Predicted (SEA)	7784.69