Trimethylsilylisocyanat

Trimethylsilyl isocyanate

HCID 70696CAS 1118-02-1

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Grundinformationen

Standard-SMILES: C[Si](C)(C)N=C=O
InChIKey: NIZHERJWXFHGGU-UHFFFAOYSA-N
Summenformel: C4H9NOSi
Durchschnittliche Molmasse: 115,21 g/mol
Monoisotopische Masse: 115,04534044

Namen und Bezeichner

Bevorzugter Name: Trimethylsilyl isocyanate
IUPAC: isocyanato(trimethyl)silane
Lokaler Name: Trimethylsilylisocyanat
Englischer Name: Trimethylsilyl Isocyanate
Summenformel: C4H9NOSi
Molmasse: 115.21

Namen und Synonyme

Trimethylsilyl isocyanateIsocyanatotrimethylsilaneSilane, isocyanatotrimethyl-TrimethylisocyanatosilaneEINECS 214-256-8DTXSID3061504Isocyanic acid, trimethylsilyl esterRefChem:191815DTXCID2033239214-256-8NIZHERJWXFHGGU-UHFFFAOYSA-N1118-02-1

Weitere Namen anzeigen

trimethylsilanylisocyanateDK481DKSI142DKFELEX0110isocyanatotrimethyl-silanSilane,isocyanatotriMethyl-Trimethylsilyl isocyanate,95%

isocyanato(trimethyl)silane(Trimethylsilyl)isocyanatetrimethylsilylisocyanateTMS isocyanateMFCD00001993Me3SiNCOTMSNCOC4H9NOSi

Datenbank-Bezeichner

CAS: 1118-02-1
PubChem CID: 70696
DTXSID: DTXSID3061504
EC Number: 214-256-8
Nikkaji: J203.339I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 29,4 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: -49 °C · -49°C
Siedepunkt: 90 · 90-92 °C(lit.)
Dichte: 0.851 g/mL · 0.851 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.396(lit.)
Flammpunkt: -2 °C · -2 °C
storage temp.: 2 · 2-8°C
Löslichkeit: Miscible with ethers and o-dichlorobenzene.
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wichte: 0.867 · 0.867
BRN: 1744962 · 1744962
InChI: 1S/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3
InChIKey: NIZHERJWXFHGGU-UHFFFAOYSA-N
SMILES: C[Si](C)(C)N=C=O
CAS Datenbank: 1118 · 1118-02-1(CAS DataBase Reference)
EPA chemische Informationen: Isocyanatotrimethylsilane (1118-02-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Sicherheitsdaten

F: 10-19-21
wgk: 3
tsca: TSCA listed
ridadr: UN 2478 3/PG 2
hs_code: 29319090
risk_code: 11-23-36/37-42
hazard_code: F,T
safety_code: 23-26-36/37/39-45
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 3 InhalationEye Irrit. 2Flam. Liq. 2Resp. Sens. 1Skin Sens. 1STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationSilane, isocyanatotrimethyl-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenTrimethylsilyl isocyanate is used in the preparation of 1-unsubstituted 4-(dialkylamino) imidazolin-2-ones. It finds application in the carbamoylation of aromatic hydrocarbons and alcohols. It is also used in the preparation of primary amides from Grignard reagents. Further, it is used in the synthesis of cyclic imides. It is also utilized for the synthesis of trifluoroacetyl isocyanate and cyclic imides. In addition to this, it is employed in the conversion of isocyanates to carbodiimides using cyclopentadienyl Mn(CO)3 catalysis.