2,4,7-trichloro-9h-fluorene (CED0081993)

Record Information

Version

1.0

Creation Date

2026-08-19 03:12:32 UTC

Update Date

2026-08-19 03:12:32 UTC

SynCED ID

CED0081993

Secondary Accession Numbers

CHEM175883

Identification

Common Name

2,4,7-trichloro-9h-fluorene

Class

Small Molecule

Description

2,4,7-trichloro-9h-fluorene belongs to the fluorenes, a class of benzenoids within the organic compounds. This compound has the chemical formula C13H7Cl3 and an average molecular weight of 269.50 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₇Cl₃

Average Molecular Mass

269.500 g/mol

Monoisotopic Mass

267.961 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C13H7Cl3/c14-9-1-2-11-7(4-9)3-8-5-10(15)6-12(16)13(8)11/h1-2,4-6H,3H2

InChI Key

MXDREDYHROHHGJ-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
1475.0 Log mg/kg [830:2600]	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
CEDs000181	Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.	Marine, shipping & aquaculture	PubChem
CEDs000182	Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.	Marine, shipping & aquaculture	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
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	Botulinum neurotoxin type E	Q00496	Clostridium botulinum	Predicted (SEA)	Prediction Confidence Score 0.442 Applicability Domain 0.558 Statistical Significance 3.00e-05 Supporting Reference Compounds 2 E-value 0.233548
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.294 Low confidence Statistical Significance 0.098 Supporting Reference Compounds 823 E-value 763.0
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.294 Low confidence Statistical Significance 0.0827 Supporting Reference Compounds 686 E-value 644.124
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.294 Low confidence Statistical Significance 0.0673 Supporting Reference Compounds 506 E-value 524.159
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.293 Low confidence Statistical Significance 0.1389 Supporting Reference Compounds 955 E-value 1081.09
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.294 Low confidence Statistical Significance 0.1339 Supporting Reference Compounds 861 E-value 1042.4
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.319 Statistical Significance 0.1659 Supporting Reference Compounds 1103 E-value 1291.29
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.294 Low confidence Statistical Significance 0.076 Supporting Reference Compounds 451 E-value 591.81
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.293 Low confidence Statistical Significance 0.1003 Supporting Reference Compounds 593 E-value 781.139
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.319 Statistical Significance 0.1111 Supporting Reference Compounds 524 E-value 864.671
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.294 Low confidence Statistical Significance 0.0668 Supporting Reference Compounds 340 E-value 520.422
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.293 Low confidence Statistical Significance 0.1176 Supporting Reference Compounds 507 E-value 915.351
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.294 Low confidence Statistical Significance 0.1006 Supporting Reference Compounds 487 E-value 783.475
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.304 Statistical Significance 0.4106 Supporting Reference Compounds 1538 E-value 3196.72
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.319 Statistical Significance 0.3019 Supporting Reference Compounds 1157 E-value 2350.19
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.294 Low confidence Statistical Significance 0.0855 Supporting Reference Compounds 386 E-value 665.767
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.319 Statistical Significance 0.2426 Supporting Reference Compounds 742 E-value 1888.93
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.319 Statistical Significance 0.2671 Supporting Reference Compounds 754 E-value 2079.27
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.293 Low confidence Statistical Significance 0.1117 Supporting Reference Compounds 385 E-value 869.42
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.293 Low confidence Statistical Significance 0.1355 Supporting Reference Compounds 536 E-value 1054.78
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.293 Low confidence Statistical Significance 0.2201 Supporting Reference Compounds 953 E-value 1713.77
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.319 Statistical Significance 0.1134 Supporting Reference Compounds 380 E-value 882.888
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.319 Statistical Significance 0.144 Supporting Reference Compounds 528 E-value 1120.8
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.294 Low confidence Statistical Significance 0.2705 Supporting Reference Compounds 763 E-value 2105.59
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.293 Low confidence Statistical Significance 0.1352 Supporting Reference Compounds 373 E-value 1052.52