1,5-dibromonaphthalene (CED0041409)

Record Information

Version

1.0

Creation Date

2026-08-18 03:47:59 UTC

Update Date

2026-08-18 03:47:59 UTC

SynCED ID

CED0041409

Secondary Accession Numbers

CHEM150293

Identification

Common Name

1,5-dibromonaphthalene

Class

Small Molecule

Description

1,5-dibromonaphthalene belongs to the naphthalenes, a class of benzenoids within the organic compounds. It has the chemical formula C10H6Br2 and an average molecular weight of 285.96 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₆Br₂

Average Molecular Mass

285.960 g/mol

Monoisotopic Mass

283.884 g/mol

CAS Registry Number

7351-74-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C10H6Br2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H

InChI Key

CZYAFTZIQWCKOI-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
2113.0 Log mg/kg [1200:3800]	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
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
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	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
CEDs03363	Organic Solar Cells	Electrical & Electronic Equipment	PMC13074071

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	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.333 Statistical Significance 0.078 Supporting Reference Compounds 380 E-value 607.224
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.275 Low confidence Statistical Significance 0.2177 Supporting Reference Compounds 823 E-value 1694.7
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.275 Low confidence Statistical Significance 0.0705 Supporting Reference Compounds 241 E-value 548.603
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.275 Low confidence Statistical Significance 0.185 Supporting Reference Compounds 686 E-value 1440.13
Click to view 3D structure	5-hydroxytryptamine receptor 5A	P47898	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.275 Low confidence Statistical Significance 0.066 Supporting Reference Compounds 225 E-value 513.493
Click to view 3D structure	5-hydroxytryptamine receptor 1E	P28566	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.275 Low confidence Statistical Significance 0.0449 Supporting Reference Compounds 139 E-value 349.699
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.304 Statistical Significance 0.3732 Supporting Reference Compounds 793 E-value 2905.1
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.25 Low confidence Statistical Significance 0.196 Supporting Reference Compounds 472 E-value 1525.53
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.275 Low confidence Statistical Significance 0.1614 Supporting Reference Compounds 315 E-value 1256.33
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.256 Low confidence Statistical Significance 0.3405 Supporting Reference Compounds 953 E-value 2651.08
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.275 Low confidence Statistical Significance 0.2682 Supporting Reference Compounds 536 E-value 2087.92
Click to view 3D structure	5-hydroxytryptamine receptor 4	Q13639	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.275 Low confidence Statistical Significance 0.0901 Supporting Reference Compounds 101 E-value 701.499
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 2	Q92630	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.289 Low confidence Statistical Significance 0.1765 Supporting Reference Compounds 196 E-value 1374.27
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.256 Low confidence Statistical Significance 0.273 Supporting Reference Compounds 337 E-value 2125.67
Click to view 3D structure	Peptidoglycan-N-acetylglucosamine deacetylase BC_1974	Q81EJ6	Bacillus cereus (strain ATCC 14579 / DSM 31 / JCM 2152 / NBRC 15305 /NCIMB 9373 / NRRL B-3711)	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.229 Low confidence Statistical Significance 0.0142 Supporting Reference Compounds 1 E-value 110.468
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.289 Low confidence Statistical Significance 0.579 Supporting Reference Compounds 906 E-value 4507.7
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.3 Statistical Significance 0.0731 Supporting Reference Compounds 108 E-value 569.0
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.25 Low confidence Statistical Significance 0.2841 Supporting Reference Compounds 407 E-value 2211.93
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.275 Low confidence Statistical Significance 0.6402 Supporting Reference Compounds 1017 E-value 4984.14
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.275 Low confidence Statistical Significance 0.5953 Supporting Reference Compounds 779 E-value 4634.13
Click to view 3D structure	5-hydroxytryptamine receptor 1D	P28221	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.256 Low confidence Statistical Significance 0.3464 Supporting Reference Compounds 365 E-value 2696.77
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P12527	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.304 Statistical Significance 0.083 Supporting Reference Compounds 78 E-value 646.226
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.25 Low confidence Statistical Significance 0.2994 Supporting Reference Compounds 332 E-value 2330.49
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.25 Low confidence Statistical Significance 0.1398 Supporting Reference Compounds 151 E-value 1088.33
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.25 Low confidence Statistical Significance 0.7503 Supporting Reference Compounds 1301 E-value 5840.72