基本情報
- CAS
919-31-3- 標準SMILES
CCO[Si](CCC#N)(OCC)OCC- InChIKey
GBQYMXVQHATSCC-UHFFFAOYSA-N- 分子式
- C9H19NO3Si
- 平均分子量
- 217.34 g/mol
- 単同位体質量
- 217.11342
概要
structure in first source
名称と識別子
- 優先名称
- (2-Cyanoethyl)triethoxysilane
- IUPAC
- 3-triethoxysilylpropanenitrile
- 現地名
- 2-シアノエチルトリエトキシシラン
- 英語名
- 2-Cyanoethyltriethoxysilane
- 分子式
- C9H19NO3Si
- 分子量
- 217.34
名称と別名
919-31-33-(TRIETHOXYSILYL)PROPIONITRILE(2-Cyanoethyl)triethoxysilanePropanenitrile, 3-(triethoxysilyl)-beta-Cyanoethyltriethoxysilane3-(Triethoxysilyl)propiononitrilePropionitrile, 3-(triethoxysilyl)-Silane, (2-cyanoethyl)triethoxy-DTXSID70273340I8R6D195FNSC-77092DTXCID807334
名称をさらに表示
2-シアノエチルトリエトキシシラン3-(トリエトキシシリル)プロピオノニトリル3-(トリエトキシシリル)プロピオニトリルトリエトキシ(2-シアノエチル)シラン3-(トリエトキシシリル)プロパンニトリル(2-シアノエチル)トリエトキシシラン（２シアノエチル）トリエトキシシラン(2-シアノエチル)トリエトキシシラン, 97%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]
物性
構造計算による物性
- 極性表面積
- 51.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 8
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 173
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Nitriles
Physical Description
Liquid
Colorless liquid; [MSDSonline]
物理化学的性質
- 沸点
- 224 °C · 224 °C (lit.)
- 比重(密度)
- 0.979 g/mL · 0.979 g/mL at 25 °C (lit.)
- 蒸気圧
- 1.9 Pa · 1.9Pa at 20℃
- 屈折率
- 20 · n20/D 1.414(lit.)
- 闪点
- 212 °F · 212 °F
- 外見
- 液体
- 比重
- 0.979 · 0.979
- 色
- Colorless to Almost colorless
- 水溶解度
- 水中で加水分解します。
- BRN
- 1776392 · 1776392
- InChI
- 1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3
- InChIKey
- GBQYMXVQHATSCC-UHFFFAOYSA-N
- SMILES
- CCO[Si](CCC#N)(OCC)OCC
- CAS データベース
- 919 · 919-31-3(CAS DataBase Reference)
- EPAの化学物質情報
- 3 · Propanenitrile, 3-(triethoxysilyl)- (919-31-3)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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.
化学と産業
用途と製造
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
応用分野
使用(2-Cyanoethyl)triethoxysilane is an ethoxylated silicate that has been used as a coating for aluminum and quartz.
一般的な説明3-(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.
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