[bromo(difluoro)methyl]-trimethylsilane (CED0072931)

Record Information

Version

1.0

Creation Date

2026-08-22 19:03:28 UTC

Update Date

2026-08-22 19:03:28 UTC

SynCED ID

CED0072931

Secondary Accession Numbers

CHEM219896

Identification

Common Name

[bromo(difluoro)methyl]-trimethylsilane

Class

Small Molecule

Description

[bromo(difluoro)methyl]-trimethylsilane belongs to the halomethanes, a subclass of alkyl halides within the organic compounds. It is an organohalogen compound with the chemical formula C4H9BrF2Si and an average molecular weight of 203.10 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄H₉BrF₂Si

Average Molecular Mass

203.100 g/mol

Monoisotopic Mass

201.963 g/mol

CAS Registry Number

115262-01-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C4H9BrF2Si/c1-8(2,3)4(5,6)7/h1-3H3

InChI Key

WDZVWBWAUSUTTO-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
3804.0 Log mg/kg [2100:6800]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	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	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.167 Low confidence Statistical Significance 0.9891 Supporting Reference Compounds 553 E-value 7700.07
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.167 Low confidence Statistical Significance 0.9962 Supporting Reference Compounds 1245 E-value 7755.73
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.167 Low confidence Statistical Significance 0.9852 Supporting Reference Compounds 497 E-value 7669.63
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.175 Low confidence Statistical Significance 0.9937 Supporting Reference Compounds 793 E-value 7735.57
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.175 Low confidence Statistical Significance 0.9918 Supporting Reference Compounds 451 E-value 7721.09
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.172 Low confidence Statistical Significance 0.9798 Supporting Reference Compounds 472 E-value 7627.51
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.172 Low confidence Statistical Significance 0.97 Supporting Reference Compounds 407 E-value 7551.14
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.171 Low confidence Statistical Significance 0.9658 Supporting Reference Compounds 226 E-value 7519.07
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.171 Low confidence Statistical Significance 0.966 Supporting Reference Compounds 227 E-value 7520.23
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.15 Low confidence Statistical Significance 0.9977 Supporting Reference Compounds 1498 E-value 7767.17
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.172 Low confidence Statistical Significance 0.9792 Supporting Reference Compounds 372 E-value 7622.76
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.15 Low confidence Statistical Significance 0.9979 Supporting Reference Compounds 1130 E-value 7768.89
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.146 Low confidence Statistical Significance 0.9964 Supporting Reference Compounds 823 E-value 7756.97
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.172 Low confidence Statistical Significance 0.937 Supporting Reference Compounds 165 E-value 7294.32
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.15 Low confidence Statistical Significance 0.9987 Supporting Reference Compounds 1538 E-value 7774.49
Click to view 3D structure	GMP-stimulated 3',5'-cyclic nucleotide phosphodiesterase	B3VTJ2	Macaca mulatta	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.149 Low confidence Statistical Significance 0.3359 Supporting Reference Compounds 2 E-value 2614.64
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.139 Low confidence Statistical Significance 0.3595 Supporting Reference Compounds 1 E-value 2798.68
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.175 Low confidence Statistical Significance 0.996 Supporting Reference Compounds 506 E-value 7753.78
Click to view 3D structure	Dihydroorotate dehydrogenase (quinone), mitochondrial	Q02127	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.175 Low confidence Statistical Significance 0.8595 Supporting Reference Compounds 33 E-value 6691.53
Click to view 3D structure	Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial	P21912	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.158 Low confidence Statistical Significance 0.2043 Supporting Reference Compounds 3 E-value 1590.62
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.146 Low confidence Statistical Significance 0.9975 Supporting Reference Compounds 955 E-value 7765.46
Click to view 3D structure	Histone deacetylase 4	P56524	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.167 Low confidence Statistical Significance 0.9849 Supporting Reference Compounds 185 E-value 7667.76
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.146 Low confidence Statistical Significance 0.9976 Supporting Reference Compounds 825 E-value 7766.0
Click to view 3D structure	Obtusifoliol 14-alpha demethylase	P93846	Sorghum bicolor	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.137 Low confidence Statistical Significance 0.291 Supporting Reference Compounds 1 E-value 2265.8
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.158 Low confidence Statistical Significance 0.9945 Supporting Reference Compounds 406 E-value 7742.42