(2-Cyanoethyl)triethoxysilane
Basic information
- CAS
919-31-3- Standard SMILES
CCO[Si](CCC#N)(OCC)OCC- InChIKey
GBQYMXVQHATSCC-UHFFFAOYSA-N- Molecular formula
- C9H19NO3Si
- Average molar mass
- 217.34 g/mol
- Monoisotopic mass
- 217.11342
Overview
structure in first source
Names & identifiers
- Preferred name
- (2-Cyanoethyl)triethoxysilane
- IUPAC
- 3-triethoxysilylpropanenitrile
- English name
- 2-Cyanoethyltriethoxysilane
- Molecular formula
- C9H19NO3Si
- Molecular weight
- 217.34
Names & synonyms
919-31-33-(TRIETHOXYSILYL)PROPIONITRILE(2-Cyanoethyl)triethoxysilanePropanenitrile, 3-(triethoxysilyl)-beta-Cyanoethyltriethoxysilane3-(Triethoxysilyl)propiononitrilePropionitrile, 3-(triethoxysilyl)-Silane, (2-cyanoethyl)triethoxy-DTXSID70273340I8R6D195FNSC-77092DTXCID807334
Show more names
ZERENEX ZX007473cyanoethyltriethoxysilaneB-CYANOETHYLTRIETHOXYSILANE2-Cycnoethyltriethoxysilane(2-cyanoethyl)triethoxy-silanTriethoxy 2-cyanoethyl silane
RefChem:496285213-050-52-Cyanoethyltriethoxysilane3-(Triethoxysilyl)propanenitrile3-triethoxysilylpropanenitrileTriethoxy-2-kyanethylsilanHSDB 5768Triethoxy-2-kyanethylsilan [Czech]
Database identifiers
- CAS
919-31-3- PubChem CID
- 13522
- DTXSID
DTXSID7027334- ChEMBL
CHEMBL3181996- UNII
- 0I8R6D195F
- EC Number
- 213-050-5
- Nikkaji
- J21.099D
Properties
Computed structural properties
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitriles
Physical Description
Liquid
Colorless liquid; [MSDSonline]
Physicochemical properties
- Boiling point
- 224 °C · 224 °C (lit.)
- Density
- 0.979 g/mL · 0.979 g/mL at 25 °C (lit.)
- vapor pressure
- 1.9 Pa · 1.9Pa at 20℃
- refractive index
- 20 · n20/D 1.414(lit.)
- Flash point
- 212 °F · 212 °F
- form
- liquid
- Specific Gravity
- 0.979 · 0.979
- color
- Colorless to Almost colorless
- Water Solubility
- Hydrolyzes in water.
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- Sensitive
- Moisture Sensitive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (5 of 70) of reports.
Warning
H315 (91.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 70 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Propanenitrile, 3-(triethoxysilyl)-
Propanenitrile, 3-(triethoxysilyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanenitrile, 3-(triethoxysilyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 3-(triethoxysilyl)propiononitrile (EC: 213-050-5)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards Summary
Emergency treatment: Propionitrile; In one reported case of propionitrile poisoning, there was rapid loss of consciousness; [HSDB] Mild irritant on skin of rabbit; [RTECS] Violent convulsions prior to death in lethal dose studies of rats; Not expected to be genotoxic; Animal data does not show reproductive or developmental toxicity; [OECD SIDS] An irritant; May be harmful if swallowed; [Aldrich MSDS] See NITRILES.
Special ReportsKaplita PV and Smith RP; Toxicol Appl Pharmacol 84 (3): 533-540 (1986). Pathways for the bioactivation of aliphatic nitriles to free cyanide in mice.
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanenitrile, 3-(triethoxysilyl)-: ACTIVE
Applications
Uses(2-Cyanoethyl)triethoxysilane is an ethoxylated silicate that has been used as a coating for aluminum and quartz.
General Description3-(Triethoxysilyl)propionitrile (TESPN) is an organosilyl sol gel that can be used as a silane based coupling agent to improve the adhesion between metal-polymeric composite. It is non-toxic and cost efficient which makes it a suitable alternative to the existing chromate treatment of metals. It can be used in surface modification of silica based surfaces.
Related reactions
4 records
Compound notes
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