1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo- (CED0151398)

Record Information

Version

1.0

Creation Date

2026-04-04 11:45:00 UTC

Update Date

2026-08-19 18:01:45 UTC

Accession Number

CHEM074142

Identification

Common Name

1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo-

Class

Small Molecule

Description

1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo- is an organic compound with the formula C16H6Br2O4 and an average molecular weight of 422.03 g/mol. 1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo- belongs to the phenanthrenes and derivatives, a class of benzenoids within the organic compounds. This substance is found in or released from five recorded sources. These include food, food processing and cookware, specifically the processing of meats, as well as electrical and electronic equipment. Within the category of electrical and electronic equipment, the compound is associated with radio transmission systems, television systems, electric hearing aids, and discharge lamps.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₆Br₂O₄

Average Molecular Mass

422.028 g/mol

Monoisotopic Mass

419.863 g/mol

CAS Registry Number

68516-49-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

BrC1C(=O)C2=CC=C3C(=O)C(Br)C(=O)C4=C3C2=C(C=C4)C1=O

InChI Identifier

InChI=1S/C16H6Br2O4/c17-11-13(19)5-1-2-6-10-8(16(22)12(18)14(6)20)4-3-7(9(5)10)15(11)21/h1-4,11-12H/t11-,12+

InChI Key

IRGKJPHTQIWQTD-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

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
559.0	Log mg/kg	[310:990]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	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	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4	Q9Y237	Humans	Predicted (SEA)	16.504
Click to view 3D structure	NAD-dependent histone deacetylase SIR2	P06700	Saccharomyces cerevisiae S288c	Predicted (SEA)	4.5931
Click to view 3D structure	Methionine aminopeptidase	Q5HEN6	Staphylococcus aureus (strain COL)	Predicted (SEA)	4.9045
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	2052.81
Click to view 3D structure	Protein S100-A4	P26447	Humans	Predicted (SEA)	21.9535
Click to view 3D structure	Tyrosyl-DNA phosphodiesterase 2	O95551	Humans	Predicted (SEA)	257.37
Click to view 3D structure	Receptor-type tyrosine-protein phosphatase C	P08575	Humans	Predicted (SEA)	446.232
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	2879.64
Click to view 3D structure	Apoptotic protease-activating factor 1	O14727	Humans	Predicted (SEA)	1098.61
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	3656.34
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	3299.17
Click to view 3D structure	Cysteine protease ATG4B	Q9Y4P1	Humans	Predicted (SEA)	864.827
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	1570.69
Click to view 3D structure	Beta Lactamase	Q932Y6	Pseudomonas aeruginosa	Predicted (SEA)	1584.47
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	618.201
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	3643.34
Click to view 3D structure	M-phase inducer phosphatase 2	P30305	Humans	Predicted (SEA)	620.925
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	2555.87
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	3440.47
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	1378.79
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	4356.05
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	6557.24
Click to view 3D structure	1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial	Q09128	Rattus norvegicus	Predicted (SEA)	161.07
Click to view 3D structure	Beta-lactamase	Q5J463	Salmonella choleraesuis (strain SC-B67)	Predicted (SEA)	134.679
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	7041.23