(3-Bromopropyl)trimethoxysilane (CED0031940)

Record Information

Version

1.0

Creation Date

2026-04-05 03:42:34 UTC

Update Date

2026-08-23 07:35:32 UTC

SynCED ID

CED0031940

Secondary Accession Numbers

CHEM091702

Identification

Common Name

(3-Bromopropyl)trimethoxysilane

Class

Small Molecule

Description

(3-Bromopropyl)trimethoxysilane is an organic compound with the formula C6H15BrO3Si and an average molecular weight of 243.17 g/mol. (3-Bromopropyl)trimethoxysilane belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. It is classified as an organometallic compound. This substance has been identified in or released from one recorded source: Electrical & Electronic Equipment (Adjustable Resistors).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₅BrO₃Si

Average Molecular Mass

243.172 g/mol

Monoisotopic Mass

241.997 g/mol

CAS Registry Number

51826-90-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CO[Si](CCCBr)(OC)OC

InChI Identifier

InChI=1/C6H15BrO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3

InChI Key

GLISZRPOUBOZDL-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
2175.0 Log mg/kg [1200:3900]	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
CEDs000504	Adjustable Resistors?Adjustable resistors, commonly used in various electronic devices, can contribute to synthetic chemical contamination through the materials and substances used in their manufacturing and disposal.	Electrical & Electronic Equipment	PubChem
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
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
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	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
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	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
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000738	Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.	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
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	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.5522
Click to view 3D structure	Phospho-2-dehydro-3-deoxyheptonate aldolase	C3TIE2	Escherichia coli	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.158 Low confidence Statistical Significance 0.0025 Supporting Reference Compounds 1 E-value 19.5402
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.162 Low confidence Statistical Significance 0.9898 Supporting Reference Compounds 955 E-value 7705.36
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.162 Low confidence Statistical Significance 0.906 Supporting Reference Compounds 185 E-value 7053.22
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.162 Low confidence Statistical Significance 0.9461 Supporting Reference Compounds 380 E-value 7365.0
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.162 Low confidence Statistical Significance 0.9912 Supporting Reference Compounds 823 E-value 7716.57
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.154 Low confidence Statistical Significance 0.9859 Supporting Reference Compounds 373 E-value 7675.31
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P30994	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.158 Low confidence Statistical Significance 0.6741 Supporting Reference Compounds 40 E-value 5247.97
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.154 Low confidence Statistical Significance 0.9865 Supporting Reference Compounds 406 E-value 7679.59
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.154 Low confidence Statistical Significance 0.9939 Supporting Reference Compounds 686 E-value 7737.43
Click to view 3D structure	Muscarinic acetylcholine receptor M3	Q8VH26	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.154 Low confidence Statistical Significance 0.7223 Supporting Reference Compounds 52 E-value 5623.21
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.154 Low confidence Statistical Significance 0.9741 Supporting Reference Compounds 234 E-value 7583.06
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.15 Low confidence Statistical Significance 0.9974 Supporting Reference Compounds 1130 E-value 7764.6
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.154 Low confidence Statistical Significance 0.9875 Supporting Reference Compounds 541 E-value 7687.53
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.15 Low confidence Statistical Significance 0.9954 Supporting Reference Compounds 1660 E-value 7749.42
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.156 Low confidence Statistical Significance 0.9937 Supporting Reference Compounds 1157 E-value 7735.88
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.154 Low confidence Statistical Significance 0.9941 Supporting Reference Compounds 953 E-value 7738.68
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.15 Low confidence Statistical Significance 0.997 Supporting Reference Compounds 825 E-value 7761.41
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.156 Low confidence Statistical Significance 0.9907 Supporting Reference Compounds 906 E-value 7712.29
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.149 Low confidence Statistical Significance 0.9955 Supporting Reference Compounds 1301 E-value 7750.12
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.15 Low confidence Statistical Significance 0.9982 Supporting Reference Compounds 1245 E-value 7770.6
Click to view 3D structure	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.156 Low confidence Statistical Significance 0.7338 Supporting Reference Compounds 92 E-value 5712.58
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.156 Low confidence Statistical Significance 0.9902 Supporting Reference Compounds 727 E-value 7708.4
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.156 Low confidence Statistical Significance 0.9894 Supporting Reference Compounds 742 E-value 7702.17
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.146 Low confidence Statistical Significance 0.9968 Supporting Reference Compounds 793 E-value 7760.32