252646

(Trimethylsilyl)isocyanate

85%

• Synonym(s): Isocyanatotrimethylsilane
• Linear Formula: (CH₃)₃SiNCO
• CAS Number: 1118-02-1
• Molecular Weight: 115.21
• Beilstein/REAXYS Number: 1744962
• EC Number: 214-256-8
• MDL number: MFCD00001993
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855227
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 85%
• form: liquid
• impurities: <15% hexamethyldisiloxane
• refractive index: n20/D 1.396 (lit.)
• bp: 90-92 °C (lit.)
• density: 0.851 g/mL at 25 °C (lit.)
• SMILES string: C[Si](C)(C)N=C=O
• InChI: 1S/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3
• InChI key: NIZHERJWXFHGGU-UHFFFAOYSA-N

Description

Application

Trimethylsilyl isocyanate was used in:

• postsynthetic modification of isoreticular metal-organic framework-3
• synthesis of 1-unsubstituted 4-(dialkylamino) imidazolin-2-ones
• conversion of isocyanates to carbodiimides with cyclopentadienyl Fe(CO)₂ or -Mn(CO)₃ catalysis
• carbamoylation of aromatic hydrocarbons and alcohols

Safety Information

• pictograms: GHS02,GHS06,GHS08
• signalword: Danger
• hcodes: H225,H317,H319,H331,H334,H335
• pcodes: P210 - P233 - P280 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - Resp. Sens. 1 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 23.0 °F - closed cup
• flash_point_c: -5 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter