2,3-Dichlorohexafluorobut-2-ene (CED0178337)

Record Information

Version

1.0

Creation Date

2026-04-04 18:52:47 UTC

Update Date

2026-04-04 18:52:47 UTC

SynCED ID

CED0178337

Secondary Accession Numbers

CHEM078295

Identification

Common Name

2,3-Dichlorohexafluorobut-2-ene

Class

Small Molecule

Description

2,3-Dichlorohexafluorobut-2-ene (C4Cl2F6) is an organic compound with an average molecular weight of 232.93 g/mol. 2,3-Dichlorohexafluorobut-2-ene belongs to the vinyl chlorides, a subclass of vinyl halides within the organic compounds. This substance is associated with six recorded sources of occurrence or release. Within the category of electrical and electronic equipment, it is found in conductors or conductive bodies characterized by the conductive materials, as well as in electric switches, electrodes, emergency protective devices, and hybrid capacitors. Additionally, the compound is linked to food, food processing, and cookware, specifically regarding fermentation processes for beer.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄Cl₂F₆

Average Molecular Mass

232.930 g/mol

Monoisotopic Mass

231.928 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FC(F)(F)C(Cl)=C(Cl)C(F)(F)F

InChI Identifier

InChI=1/C4Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12

InChI Key

XDIDQEGAKCWQQP-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

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

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
758.0 Log mg/kg [430:1300]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000520	Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000544	Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.	Food, food processing & cookware	PubChem
CEDs000669	PFAS Fire Fighting Foam?PFAS fire fighting foam refers to a class of synthetic foams containing per- and polyfluoroalkyl substances (PFAS), which are designed to suppress flammable liquid fires.	Fire suppression systems & agents	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

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	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.192 Low confidence Statistical Significance 0.0068 Supporting Reference Compounds 2 E-value 53.0932
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.192 Low confidence Statistical Significance 0.2419 Supporting Reference Compounds 55 E-value 1882.94
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.192 Low confidence Statistical Significance 0.2034 Supporting Reference Compounds 40 E-value 1583.38
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.192 Low confidence Statistical Significance 0.7375 Supporting Reference Compounds 106 E-value 5741.61
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.192 Low confidence Statistical Significance 0.0978 Supporting Reference Compounds 20 E-value 761.599
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.192 Low confidence Statistical Significance 0.0081 Supporting Reference Compounds 4 E-value 63.2914
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.167 Low confidence Statistical Significance 0.0096 Supporting Reference Compounds 2 E-value 74.891
Click to view 3D structure	Type IV secretion-like conjugative transfer relaxase protein TraI	B1LRJ1	Escherichia coli (strain SMS-3-5 / SECEC)	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.158 Low confidence Statistical Significance 4.50e-04 Supporting Reference Compounds 1 E-value 3.50322
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.156 Low confidence Statistical Significance 0.0051 Supporting Reference Compounds 1 E-value 39.8588
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.152 Low confidence Statistical Significance 0.0078 Supporting Reference Compounds 1 E-value 61.0338
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.161 Low confidence Statistical Significance 0.0137 Supporting Reference Compounds 6 E-value 106.965
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.0072
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.3346 Supporting Reference Compounds 1 E-value 2604.68
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.192 Low confidence Statistical Significance 0.9466 Supporting Reference Compounds 102 E-value 7368.9
Click to view 3D structure	Envelope phospholipase OPG057	P04021	Vaccinia virus (strain Western Reserve) (VACV) (Vaccinia virus (strainWR))	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.135 Low confidence Statistical Significance 0.2085 Supporting Reference Compounds 1 E-value 1623.0
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.156 Low confidence Statistical Significance 0.9977 Supporting Reference Compounds 406 E-value 7766.94
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.192 Low confidence Statistical Significance 0.9136 Supporting Reference Compounds 46 E-value 7112.46
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.185 Low confidence Statistical Significance 0.9938 Supporting Reference Compounds 242 E-value 7736.97
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.167 Low confidence Statistical Significance 0.999 Supporting Reference Compounds 472 E-value 7777.14
Click to view 3D structure	Cyclic AMP-dependent transcription factor ATF-1	P18846	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.122 Low confidence Statistical Significance 0.4469 Supporting Reference Compounds 3 E-value 3479.16
Click to view 3D structure	Transmembrane protease serine 4	Q9NRS4	Humans	Predicted (SEA)	Prediction Confidence Score 0.116 Applicability Domain 0.116 Low confidence Statistical Significance 0.4836 Supporting Reference Compounds 1 E-value 3764.94
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.115 Applicability Domain 0.185 Low confidence Statistical Significance 0.9954 Supporting Reference Compounds 165 E-value 7748.8
Click to view 3D structure	Monoglyceride lipase	Q99685	Humans	Predicted (SEA)	Prediction Confidence Score 0.114 Applicability Domain 0.147 Low confidence Statistical Significance 0.9892 Supporting Reference Compounds 76 E-value 7701.08
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.114 Applicability Domain 0.167 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 407 E-value 7778.54
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4D	Q01063	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.113 Applicability Domain 0.113 Low confidence Statistical Significance 0.6697 Supporting Reference Compounds 1 E-value 5213.64