Trimethylsilylisothiocyanat

Isothiocyanatotrimethylsilane

HCID 75297CAS 2290-65-5

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Grundinformationen

Standard-SMILES: C[Si](C)(C)N=C=S
InChIKey: XLTUPERVRFLGLJ-UHFFFAOYSA-N
Summenformel: C4H9NSSi
Durchschnittliche Molmasse: 131,27 g/mol
Monoisotopische Masse: 131,02249682

Namen und Bezeichner

Bevorzugter Name: Isothiocyanatotrimethylsilane
IUPAC: isothiocyanato(trimethyl)silane
Lokaler Name: Trimethylsilylisothiocyanat
Englischer Name: TRIMETHYLSILYL ISOTHIOCYANATE
Summenformel: C4H9NSSi
Molmasse: 131.27

Namen und Synonyme

Trimethylsilyl isothiocyanate2290-65-5IsothiocyanatotrimethylsilaneTrimethylsilylisothiocyanateJK38S9F7MNDTXSID4062307TMS-ITCRefChem:899922DTXCID9036771218-929-7Silane, isothiocyanatotrimethyl-Isothiocyanato(trimethyl)silane

Weitere Namen anzeigen

Trimethylsilyl Isothicyanateisothiocyanatotrimethyl-silanTrimethylsilylisothiocyanate,94%Trimethylsilyl isothiocyanate,97%(TriMethylsilyl)isothiocyanate 99%

(Trimethylsilyl)isothiocyanateMFCD00004797EINECS 218-929-7C4H9NSSiTMSisothiocyanateTMS-isothiocyanateTrimethylisothiocyanatosilanetrimethylsilyl-isothiocyanate

Datenbank-Bezeichner

CAS: 2290-65-5
PubChem CID: 75297
DTXSID: DTXSID4062307
UNII: JK38S9F7MN
EC Number: 218-929-7
Nikkaji: J213.167F

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 44,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 98,7

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 32.8 °C · −32.8 °C(lit.)
Siedepunkt: 143 °C · 143 °C(lit.)
Dichte: 0.931 g/mL · 0.931 g/mL at 25 °C(lit.)
Dampfdichte: 1 · >1 (vs air)
Brechungsindex: 20 · n20/D 1.482(lit.)
Flammpunkt: 95 °F · 95 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Wichte: 0.931 · 0.931
Wasserlöslichkeit: Reacts with water.
BRN: 1745262 · 1745262
InChI: 1S/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3
InChIKey: XLTUPERVRFLGLJ-UHFFFAOYSA-N
SMILES: C[Si](C)(C)N=C=S
CAS Datenbank: 2290 · 2290-65-5(CAS DataBase Reference)
EPA chemische Informationen: Isothiocyanatotrimethylsilane (2290-65-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P342+P316, P361+P364, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

F: 10-19-21
wgk: 3
tsca: TSCA listed
ridadr: UN 1992 3/PG 3
hs_code: 29319090
risk_code: 10-23/24/25-36/37/38-42
hazard_code: T
safety_code: 23-26-36/37-45
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationSilane, isothiocyanatotrimethyl-: ACTIVE

Anwendungen

VerwendenTrimethylsilyl isothiocyanate is used as derivatizing reagent during the synthesis of amino acid thiohydantoins. It participates in ring opening reaction of N-substituted aziridines and cyclohexene oxide.