CAS 4551-15-9 Phenylthiotrimethylsilane (HCID 78312)

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Basic information

CAS: 4551-15-9
Standard SMILES: C[Si](C)(C)Sc1ccccc1
InChIKey: VJMQFIRIMMSSRW-UHFFFAOYSA-N
Molecular formula: C9H14SSi
Average molar mass: 182.36 g/mol
Monoisotopic mass: 182.05854798

Names & identifiers

Preferred name: Phenylthiotrimethylsilane
IUPAC: trimethyl(phenylsulfanyl)silane
English name: PHENYLTHIOTRIMETHYLSILANE
Molecular formula: C9H14SSi
Molecular weight: 182.36

Names & synonyms

Phenylthiotrimethylsilane4551-15-9Trimethyl(phenylthio)silane(Phenylthio)trimethylsilaneSilane, trimethyl(phenylthio)-Phenyl trimethylsilyl sulfideBenzene, ((trimethylsilyl)thio)-EINECS 224-916-7[(Trimethylsilyl)thio]benzeneDTXSID0063523((Trimethylsilyl)thio)benzeneBenzene, [(trimethylsilyl)thio]-

Show more names

TrimethylsilylthiobenzeneS-(TRIMETHYLSILYL)THIOPHENOLPhenylthiotrimethylsilane,95%S-(TRIMETHYLSILYL)BENZENETHIOL(Phenylthio)trimethylsilane>Trimethyl(phenylthio)silane 97%

RefChem:861835S(Trimethylsilyl)thiophenolSilane, trimethyl(phenylthio)DTXCID3040433Benzene, ((trimethylsilyl)thio)224-916-7trimethyl(phenylsulfanyl)silaneMFCD00008272

Database identifiers

CAS: 4551-15-9
PubChem CID: 78312
DTXSID: DTXSID0063523
UNII: 4854JD2EEB
EC Number: 224-916-7
Nikkaji: J236.224D

Properties

Computed structural properties

Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 111

Experimental & physicochemical properties

Chemical ClassesMetals -> Metalloid Compounds (Silicon)

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Boiling point: 72 °C/8 · 72 °C/8 mmHg (lit.)
Density: 0.963 g/mL · 0.963 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.532(lit.)
Flash point: 87 °F · 87 °F
storage temp.: Flammables area
solubility: sol organic solvents; incompatible with strong acids and strong oxidizing agents.
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 0.963 · 0.963
Water Solubility

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.