Silane, chlorotrimethyl- (CHEM004023)

Record Information
Version1.0
Creation Date2016-05-19 01:32:40 UTC
Update Date2026-08-22 13:51:33 UTC
Accession NumberCHEM004023
Identification
Common NameSilane, chlorotrimethyl-
ClassSmall Molecule
Description
A silyl chloride consisting of a central silicon atom covalently bound to one chloro and three methyl groups. Chlorotrimethylsilane is a derivatisation agent used in gas chromatography/mass spectrometry applications.
Contaminant Sources
  • Clean Air Act Chemicals
  • HPV EPA Chemicals
  • OECD HPV Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • PMT
Chemical Structure
MOLSDF3D SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
(CH3)3SIClChEBI
Me3SiclChEBI
MonochlorotrimethylsilaneChEBI
MonochlorotrimethylsiliconChEBI
TMCSChEBI
TMS-CLChEBI
TMSCLChEBI
Trimethyl chlorosilaneChEBI
TrimethylchlorosilaneChEBI
Trimethylsilane chlorideChEBI
Trimethylsilyl chlorideChEBI
ChlorotrimethylsilaneMeSH
Chemical FormulaC3H9ClSi
Average Molecular Mass108.640 g/mol
Monoisotopic Mass108.016 g/mol
CAS Registry Number75-77-4
IUPAC Namechlorotrimethylsilane
Traditional Namechlorotrimethylsilane
SMILESC[Si](C)(C)Cl
InChI IdentifierInChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3
InChI KeyIJOOHPMOJXWVHK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as trialkylchlorosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one chlorine atom.
KingdomOrganic compounds
Super ClassOrganometallic compounds
ClassOrganometalloid compounds
Sub ClassOrganosilicon compounds
Direct ParentTrialkylchlorosilanes
Alternative Parents
Substituents
  • Trialkylchlorosilane
  • Silyl monohalide
  • Organochlorosilane
  • Organic metalloid salt
  • Alkylhalosilane
  • Hydrocarbon derivative
  • Organic salt
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility1.38 g/LALOGPS
logP1.97ALOGPS
logP2.01ChemAxon
logS-1.9ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity23.48 m³·mol⁻¹ChemAxon
Polarizability10.71 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkTrimethylsilyl chloride
Chemspider IDNot Available
ChEBI ID85069
PubChem Compound ID6397
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References