1,3-Bis(trimethylsilyl)urea - ≥98% , CAS No.18297-63-7

CAS: 18297-63-7 Cat. No.: B107598 Molecular Weight: 204.42 Beilstein Registry Number: 1937452 EC Number: 242-177-9

GRADE & PURITY ≥98%

Synonyms

Bis(trimethylsilyl)urea | bis-(trimethylsilyl)urea | bis-(trimethylsilyl-)urea | bis(trimethylsilyl)-urea | 1,3-Bis(trimethylsilyl)urea, 95% | N,N'-Bis(trimethylsilyl)urea | N,N'-bis-(trimethylsilyl)-urea | AKOS000121142 | J-503877 | Urea, di-TMS | 1,3-Bi

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

N,N′-Bis(trimethylsilyl)urea was used as a silylating agent for carboxylic acids and alcohols.

Specifications

Synonyms

Bis(trimethylsilyl)urea | bis-(trimethylsilyl)urea | bis-(trimethylsilyl-)urea | bis(trimethylsilyl)-urea | 1, 3-Bis(trimethylsilyl)urea, 95% | N, N'-Bis(trimethylsilyl)urea | N, N'-bis-(trimethylsilyl)-urea | AKOS000121142 | J-503877 | Urea, di-TMS | 1, 3-Bi

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)NC(=O)N[Si](C)(C)C
• IUPAC Name: 1,3-bis(trimethylsilyl)urea
• InChIKey: MASDFXZJIDNRTR-UHFFFAOYSA-N
• INCHI: 1S/C7H20N2OSi2/c1-11(2,3)8-7(10)9-12(4,5)6/h1-6H3,(H2,8,9,10)
• Isomeric SMILES: C[Si](C)(C)NC(=O)N[Si](C)(C)C
• WGK Germany: 3
• Molecular Weight: 204.42
• Beilstein: 1937452
• Reaxy-Rn: 1937452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1937452&ln=

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 carbonic acids and derivatives Organic metalloid salts N-silyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylheterosilane - Carbonic acid derivative - N-silyl compound - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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: Reacts with water，soluble in methanol.
• Sensitivity: Hygroscopic；Moisture sensitive
• Melt Point(°C): 219-221 °C
• Molecular Weight: 204.420 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 204.111 Da
• Monoisotopic Mass: 204.111 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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

XLogP3

References

1. Xu Han, Le Chang, Zeqian Wang, Xinfang Zhang, Feng Liu.  (2025)  Dual silicon side chain modification of one-component polysulfide adhesives for excellent mechanical properties and solvent resistance.  Polymer Chemistry,      [PMID:] [10.1039/D5PY00665A]