Methylchlorosilane (CED0023832)

Record Information

Version

1.0

Creation Date

2016-05-19 04:57:22 UTC

Update Date

2026-08-26 00:17:47 UTC

Accession Number

CHEM015693

Identification

Common Name

Methylchlorosilane

Class

Small Molecule

Description

Methylchlorosilane is a chemical compound with the formula CH5ClSi and an average molecular weight of 80.59 g/mol. Methylchlorosilane belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. This substance has been identified in or released from 10 recorded sources. These sources include electrical and electronic equipment, specifically antennas, contacts, cores yokes or armatures, discharge lamps, and electric switches, along with five additional sources.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

CH₅ClSi

Average Molecular Mass

80.590 g/mol

Monoisotopic Mass

79.985 g/mol

CAS Registry Number

993-00-0

IUPAC Name

chloro(methyl)silane

Traditional Name

methylchlorosilane

SMILES

C[SiH2]Cl

InChI Identifier

InChI=1S/CH5ClSi/c1-3-2/h3H2,1H3

InChI Key

YGZSVWMBUCGDCV-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as organochlorosilanes. These are organosilicon compounds where the tetravalent silicon atom is linked to one or more chlorine atoms.

Kingdom

Organic compounds

Super Class

Organometallic compounds

Class

Organometalloid compounds

Sub Class

Organosilicon compounds

Direct Parent

Organochlorosilanes

Alternative Parents

Substituents

Organochlorosilane
Organic metalloid salt
Alkylhalosilane
Hydrocarbon derivative
Organic salt
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

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

Property	Value	Source
Water Solubility	24.6 g/L	ALOGPS
logP	0.76	ALOGPS
logP	0.054	ChemAxon
logS	-0.52	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	13.52 m³·mol⁻¹	ChemAxon
Polarizability	7.03 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9000000000-6ef4ad2551d6803481f1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9000000000-a48f63274ca70529ec1d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001j-9000000000-35d7af61c3a588a684c6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-e67c97a34af66c882cb0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-957951bcbfb5b09a89cc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004l-9000000000-43af5a220aab3a8d1e13	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
390.0	Log mg/kg	[220:690]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
512	Contacts	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
533	Sparking Plugs	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
656	Snap Fasteners	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
661	Umbrellas	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	Protoporphyrinogen IX oxidase	Q9SPL6	Cichorium intybus	Predicted (SEA)	5501.06
Click to view 3D structure	Photosystem II protein D1	P06402	Marchantia polymorpha	Predicted (SEA)	6986.5
Click to view 3D structure	DNA dC->dU-editing enzyme APOBEC-3G	Q9HC16	Humans	Predicted (SEA)	7783.37
Click to view 3D structure	Sodium/hydrogen exchanger 1	P23791	Oryctolagus cuniculus	Predicted (SEA)	6443.5
Click to view 3D structure	Sodium/hydrogen exchanger	Q9W6Q1	Amphiuma tridactylum	Predicted (SEA)	6443.5
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	Vacuolar aminopeptidase 1	P14904	Saccharomyces cerevisiae S288c	Predicted (SEA)	7057.03
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	7783.52
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	7783.6
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	7784.69
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	Genome polyprotein	P29990	dengue virus type 2	Predicted (SEA)	7782.82
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	7784.53
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	7784.61
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	7784.3
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	D-alanyl-D-alanine carboxypeptidase	P39045	Actinomadura sp. (strain R39)	Predicted (SEA)	7479.68
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	Beta Lactamase	Q932Y6	Pseudomonas aeruginosa	Predicted (SEA)	7784.46
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 1	P35439	Rattus norvegicus	Predicted (SEA)	7783.83