Trimethylsilyl Isocyanate - ≥80%(GC) , CAS No.1118-02-1

CAS: 1118-02-1 Cat. No.: T162529 Molecular Weight: 115.21 Beilstein Registry Number: 4(3)1861 EC Number: 214-256-8 PubChem CID: 70696

GRADE & PURITY ≥80%(GC)

Synonyms

Isocyanatotrimethylsilane | TMS isocynate | 5-(1,2-Dihydroxy-ethyl)-3,4-dihydroxy-dihydro-furan-2-one | TMSisocyanate | TMS-isocyanate | (Trimethylsilyl)isocyanate, 85% | trimethyisiiyiisocyanate | DL-Alanine, N-DL-alanyl- | DTXSID3061504 | isocyanato(tri

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Isocyanatotrimethylsilane | TMS isocynate | 5-(1, 2-Dihydroxy-ethyl)-3, 4-dihydroxy-dihydro-furan-2-one | TMSisocyanate | TMS-isocyanate | (Trimethylsilyl)isocyanate, 85% | trimethyisiiyiisocyanate | DL-Alanine, N-DL-alanyl- | DTXSID3061504 | isocyanato(tri

Specifications & Purity

≥80%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥80%(GC)

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)N=C=O
• IUPAC Name: isocyanato(trimethyl)silane
• InChIKey: NIZHERJWXFHGGU-UHFFFAOYSA-N
• INCHI: 1S/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3
• Isomeric SMILES: C[Si](C)(C)N=C=O
• PubChem CID: 70696
• Molecular Weight: 115.21
• Beilstein: 4(3)1861
• Reaxy-Rn: 1744962

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Trialkylheterosilanes
• Alternative Parents: Organic metalloid salts N-silyl compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylheterosilane - N-silyl compound - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Miscible with ethers and o-dichlorobenzene.
• Sensitivity: Heat & Moisture sensitive
• Refractive Index: 1.396
• Flash Point(°F): 28°F
• Flash Point(°C): -2°C(lit.)
• Boil Point(°C): 90-92°C
• Melt Point(°C): -49°C
• Molecular Weight: 115.210 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 115.045 Da
• Monoisotopic Mass: 115.045 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 98.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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