Isocyanatopropyltriethoxysilane - ≥95% , CAS No.24801-88-5

CAS: 24801-88-5 Cat. No.: T106834 Formula: C₁₀H₂₁NO₄Si Molecular Weight: 247.36 Beilstein Registry Number: 4404652 EC Number: 246-467-6 PubChem CID: 90613

GRADE & PURITY ≥95%

Synonyms

ICPTES | A817497 | 3-(triethoxysilyl)propylisocyanate | (2E)-3-(2,5-difluorophenyl)prop-2-enoic acid | 3-(ISOCYANOPROPYL)TRIETHOXYSILANE | Tox21_302179 | 3-triethoxysilanylpropyl isocyanate | MFCD00051459 | .gamma.-Isocyanopropyltriethoxysilane | 3-(Triet

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

ICPTES | A817497 | 3-(triethoxysilyl)propylisocyanate | (2E)-3-(2,5-difluorophenyl)prop-2-enoic acid | 3-(ISOCYANOPROPYL)TRIETHOXYSILANE | Tox21_302179 | 3-triethoxysilanylpropyl isocyanate | MFCD00051459 | .gamma.-Isocyanopropyltriethoxysilane | 3-(Triet

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

Pubchem Sid

508813480

Canonical Smiles

CCO[Si](CCCN=C=O)(OCC)OCC

IUPAC Name

triethoxy(3-isocyanatopropyl)silane

InChIKey

FRGPKMWIYVTFIQ-UHFFFAOYSA-N

INCHI

1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3

Isomeric SMILES

CCO[Si](CCCN=C=O)(OCC)OCC

WGK Germany

3

RTECS

VV6691000

PubChem CID

90613

UN Number

3390

Molecular Weight

247.36

Beilstein

4404652

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: Silyl ethers Isocyanates Propargyl-type 1,3-dipolar organic compounds Organoheterosilanes Organic metalloid salts Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkoxysilane - Isocyanate - Silyl ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic metalloid salt - Organoheterosilane - Organic salt - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
• 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: Hydrolyzes in water.
• Sensitivity: Moisture Sensitive
• Refractive Index: 1.42
• Flash Point(°F): 170.6 °F
• Flash Point(°C): 77℃
• Boil Point(°C): 283°C
• Molecular Weight: 247.360 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 247.124 Da
• Monoisotopic Mass: 247.124 Da
• Topological Polar Surface Area: 57.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 202.000
• 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

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