Perfluoroadipoyl chloride (CED0000335)

Record Information

Version

1.0

Creation Date

2026-04-03 05:40:05 UTC

Update Date

2026-08-23 03:19:46 UTC

Accession Number

CHEM062108

Identification

Common Name

Perfluoroadipoyl chloride

Class

Small Molecule

Description

Perfluoroadipoyl chloride is an organic compound with the chemical formula $\text{C}_6\text{Cl}_2\text{F}_8\text{O}_2$ and an average molecular weight of 326.95 g/mol. Perfluoroadipoyl chloride belongs to the acyl chlorides, a subclass of acyl halides within the organic compounds. The compound is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. Other recorded sources include food packaging within the food, food processing and cookware sector, and medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is linked to lubricants used in energy, oil and gas, as well as industrial manufacturing and chemical processing, along with one further sector. Recorded routes of exposure for perfluoroadipoyl chloride include inhalation, oral intake, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆Cl₂F₈O₂

Average Molecular Mass

326.950 g/mol

Monoisotopic Mass

325.915 g/mol

CAS Registry Number

336-06-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

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

InChI Identifier

InChI=1S/C6Cl2F8O2/c7-1(17)3(9,10)5(13,14)6(15,16)4(11,12)2(8)18

InChI Key

NGSYNEZFBAPQFK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.

Kingdom

Organic compounds

Super Class

Organohalogen compounds

Class

Acyl halides

Sub Class

Acyl chlorides

Direct Parent

Acyl chlorides

Alternative Parents

Substituents

Acyl chloride
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organofluoride
Organochloride
Carbonyl group
Alkyl halide
Alkyl fluoride
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

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

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
285.0	Log mg/kg	[160:510]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
7	Pesticides	Agriculture & land management	Not Available
120	Wires and cables	Electrical & Electronic Equipment	Not Available
121	Printed circuit boards	Electrical & Electronic Equipment	Not Available
125	Batteries	Electrical & Electronic Equipment	Not Available
130	Semiconductors	Electrical & Electronic Equipment	Not Available
138	Lubricants	Energy, oil & gas	Not Available
147	Food packaging	Food, food processing & cookware	Not Available
174	Lubricants	Industrial manufacturing & chemical processing	Not Available
234	Medical devices	Healthcare, pharmaceuticals & veterinary products	Not Available
451	Carpets and Rugs	Textiles, leather & furnishings	Not Available
454	Synthetic textiles	Textiles, leather & furnishings	Not Available
490		Personal care & cosmetics	Not Available
492	Cell phones	Electrical & Electronic Equipment	Not Available
493	Capacitors	Electrical & Electronic Equipment	Not Available

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	Histone deacetylase-like amidohydrolase	Q70I53	Alcaligenes sp. (strain DSM 11172)	Predicted (SEA)	50.6798
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	2.25763
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	6146.9
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	37.9904
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	1058.52
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	759.341
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	4364.38
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	339.812
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	44.3741
Click to view 3D structure	Type IV secretion-like conjugative transfer relaxase protein TraI	B1LRJ1	Escherichia coli (strain SMS-3-5 / SECEC)	Predicted (SEA)	1.47914
Click to view 3D structure	Envelope phospholipase OPG057	P04021	Vaccinia virus (strain Western Reserve) (VACV) (Vaccinia virus (strainWR))	Predicted (SEA)	382.707
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	51.1469
Click to view 3D structure	Histone deacetylase 7	Q8WUI4	Humans	Predicted (SEA)	5594.63
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	6822.94
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	23.1212
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	31.996
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	7492.6
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	61.0338
Click to view 3D structure	Cyclic AMP-dependent transcription factor ATF-1	P18846	Humans	Predicted (SEA)	1140.18
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	1705.36
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	4920.77
Click to view 3D structure	Transmembrane protease serine 4	Q9NRS4	Humans	Predicted (SEA)	1376.84
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	6647.54
Click to view 3D structure	P2X purinoceptor 7	Q99572	Humans	Predicted (SEA)	6501.66
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	7280.77