Cas no 1118-02-1 (Trimethylsilyl isocyanate)

Trimethylsilyl isocyanate (TMSNCO) is a versatile silylating reagent used in organic synthesis, particularly for introducing the isocyanate functional group. Its key advantages include high reactivity, moisture sensitivity for controlled reactions, and compatibility with a range of substrates. It is commonly employed in the preparation of ureas, carbamates, and other nitrogen-containing compounds under mild conditions.
Trimethylsilyl isocyanate structure
Trimethylsilyl isocyanate structure
Product Name:Trimethylsilyl isocyanate
CAS No:1118-02-1
MF:C4H9NOSi
MW:115.20586180687
MDL:MFCD00001993
CID:174430
PubChem ID:70696
Update Time:2025-06-19

Trimethylsilyl isocyanate Chemical and Physical Properties

Names and Identifiers

    • Silane,isocyanatotrimethyl-
    • C4H9NOSi
    • Trimethylsilyl Isocyanate
    • isocyanato(trimethyl)silane
    • Isocyanatotrimethylsilane
    • Silane, isocyanatotrimethyl-
    • trimethylsilylisocyanate
    • (Trimethylsilyl)isocyanate
    • Trimethylisocyanatosilane
    • NIZHERJWXFHGGU-UHFFFAOYSA-N
    • Trimethylsilyl isocyanate, 94%
    • TMSisocyanate
    • TMS-isocyanate
    • TMS isocyanate
    • TMS isocynate
    • Me3SiNCO
    • TMSNCO
    • trimethylsilylisocynate
    • trimethyisiiyiisocyanate
    • trimethylsilyl isocynate
    • TMS-NCO
    • trimethylsilyl-isocyanate
    • (trimethylsily)isocyanate
    • s19575
    • Trimethylsilyl Iscyanate
    • NS00045185
    • SCHEMBL5463
    • AKOS015840060
    • DTXSID3061504
    • J-802299
    • Q15632694
    • T1106
    • Trimethylsilyl Iscyanate, 95%
    • MFCD00001993
    • (trimethyl)silyl isocyanate
    • (Trimethylsilyl)Iscyanate, 95%
    • (Trimethylsilyl)isocyanate, 85%
    • EN300-100825
    • GEO-02424
    • BS-44115
    • EINECS 214-256-8
    • Iscyanatotrimethylsilane
    • 1118-02-1
    • Trimethylsilyliscyanate
    • trimethyl silyl isocyanate
    • Isocyanic acid, trimethylsilyl ester
    • D92451
    • Isocyanic Acid Trimethylsilyl Ester; Orgatix SI 130; Trimethylisocyanatosilane; Trimethylsilyl iIsocyanate;
    • DTXCID2033239
    • Trimethylsilyl isocyanate
    • MDL： MFCD00001993
    • Inchi： 1S/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3
    • InChI Key： NIZHERJWXFHGGU-UHFFFAOYSA-N
    • SMILES： [Si](C)(C)(C)N=C=O
    • BRN： 1744962

Computed Properties

  • Exact Mass: 115.04500
  • Monoisotopic Mass: 115.045340445g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 98.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 29.4

Experimental Properties

  • Color/Form: Colorless liquid with corrosive odor.
  • Density: 0.851?g/mL?at 25?°C(lit.)
  • Melting Point: -49°C
  • Boiling Point: 90°C
  • Flash Point: Fahrenheit: 23 ° f
    Celsius: -5 ° c
  • Refractive Index: n20/D 1.396(lit.)
  • Solubility: Miscible with ethers and o-dichlorobenzene.
  • PSA: 29.43000
  • LogP: 1.15710
  • Sensitiveness: Moisture Sensitive
  • Solubility: reaction

Trimethylsilyl isocyanate Security Information

Trimethylsilyl isocyanate Pricemore >>

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