(1-Naphthylmethyl)triphenylphosphonium chloride (CED0061482)

Record Information

Version

1.0

Creation Date

2026-04-05 00:01:16 UTC

Update Date

2026-04-05 00:01:16 UTC

SynCED ID

CED0061482

Secondary Accession Numbers

CHEM085836

Identification

Common Name

(1-Naphthylmethyl)triphenylphosphonium chloride

Class

Small Molecule

Description

(1-Naphthylmethyl)triphenylphosphonium chloride belongs to the phenylphosphines and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C29H24P and an average molecular weight of 438.93 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₉H₂₄P

Average Molecular Mass

438.930 g/mol

Monoisotopic Mass

403.162 g/mol

CAS Registry Number

23277-00-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[Cl-].C(C1=CC=CC2=CC=CC=C12)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

InChI Identifier

InChI=1/C29H24P.ClH/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25;/h1-22H,23H2;1H/q+1;/p-1

InChI Key

MOYSMPXSEXYEJV-UHFFFAOYSA-M

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
296.0 Log mg/kg [170:530]	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
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
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
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	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
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	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	Chaperone protein dnaK	C3TRK2	Escherichia coli	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.356 Statistical Significance 3.30e-04 Supporting Reference Compounds 1 E-value 2.56902
Click to view 3D structure	Interferon alpha/beta receptor 1	P17181	Humans	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.333 Statistical Significance 1.00e-04 Supporting Reference Compounds 1 E-value 0.778492
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.364 Statistical Significance 0.0542 Supporting Reference Compounds 562 E-value 422.098
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.333 Statistical Significance 0.0472 Supporting Reference Compounds 406 E-value 367.76
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.333 Statistical Significance 0.0635 Supporting Reference Compounds 593 E-value 494.576
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.333 Statistical Significance 0.0533 Supporting Reference Compounds 487 E-value 415.014
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.333 Statistical Significance 0.147 Supporting Reference Compounds 1130 E-value 1144.38
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.333 Statistical Significance 0.0491 Supporting Reference Compounds 451 E-value 382.473
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.39 Statistical Significance 0.0436 Supporting Reference Compounds 386 E-value 339.423
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.347 Statistical Significance 0.0239 Supporting Reference Compounds 258 E-value 186.371
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.344 Statistical Significance 0.1144 Supporting Reference Compounds 793 E-value 890.439
Click to view 3D structure	Trans-cinnamate 4-monooxygenase	Q04468	Helianthus tuberosus	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.282 Low confidence Statistical Significance 9.30e-04 Supporting Reference Compounds 1 E-value 7.23998
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.308 Statistical Significance 0.0846 Supporting Reference Compounds 541 E-value 658.527
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.308 Statistical Significance 0.0503 Supporting Reference Compounds 337 E-value 391.815
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.286 Low confidence Statistical Significance 0.0358 Supporting Reference Compounds 203 E-value 278.7
Click to view 3D structure	Alpha-1B adrenergic receptor	P35368	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.39 Statistical Significance 0.0566 Supporting Reference Compounds 298 E-value 440.86
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.275 Low confidence Statistical Significance 0.1702 Supporting Reference Compounds 955 E-value 1324.84
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28564	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.279 Low confidence Statistical Significance 0.0361 Supporting Reference Compounds 154 E-value 280.88
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.275 Low confidence Statistical Significance 0.1276 Supporting Reference Compounds 686 E-value 993.2
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.275 Low confidence Statistical Significance 0.1613 Supporting Reference Compounds 823 E-value 1255.79
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.271 Low confidence Statistical Significance 0.1044 Supporting Reference Compounds 536 E-value 812.512
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.39 Statistical Significance 0.0868 Supporting Reference Compounds 376 E-value 675.498
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.286 Low confidence Statistical Significance 0.0661 Supporting Reference Compounds 297 E-value 514.272
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.352 Statistical Significance 0.0852 Supporting Reference Compounds 425 E-value 663.665
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.276 Low confidence Statistical Significance 0.4376 Supporting Reference Compounds 1538 E-value 3406.92