トリメトキシフェニルシラン
Trimethoxyphenylsilane
基本情報
- CAS
2996-92-1- 標準SMILES
CO[Si](OC)(OC)c1ccccc1- InChIKey
ZNOCGWVLWPVKAO-UHFFFAOYSA-N- 分子式
- C9H14O3Si
- 平均分子量
- 198.29 g/mol
- 単同位体質量
- 198.07122084
概要
structure in first source
名称と識別子
- 優先名称
- Trimethoxyphenylsilane
- IUPAC
- trimethoxy(phenyl)silane
- 現地名
- トリメトキシフェニルシラン
- 英語名
- Trimethoxyphenylsilane
- 分子式
- C9H14O3Si
- 分子量
- 198.29
名称と別名
Phenyltrimethoxysilane2996-92-1TrimethoxyphenylsilaneSilane, trimethoxyphenyl-DTXSID504070021TQE746S9NSC-93925DTXCID3020700RefChem:861841221-066-9trimethoxy(phenyl)silane(Trimethoxysilyl)benzene
名称をさらに表示
トリメトキシフェニルシラントリメトキシシリルベンゼンフェニルトリメトキシシラントリメトキシ(フェニル)シランフェニルトリメトキシシラン, 97%(トリメトキシシリル)ベンゼンモノフェニルトリメトキシシラン4-[3-メトキシ-2-(4-メトキシ-4-オキソブタンアミド)-3-オキソプロピル]フェニル 1-メチル ブタンジオアート4-[[2-[4-(4-メトキシ-1,4-ジオキソブトキシ)フェニル]-1-(メトキシカルボニル)エチル]アミノ]-4-オキソブタン酸メチルTrimethoxyphenyLKH-631trimethoxyphenyl-silanPhenyltriMethoxysilane, 85% 250MLX170CP0330HD-127
SILANE, PHENYLTRIMETHOXY-A 153C9H14O3SiMFCD00025689s13750Benzene, (trimethoxysilyl)-(Trimethoxysilyl)benzene; Phenyltrimethoxysilane155684-43-8
データベース識別子
- CAS
2996-92-1- PubChem CID
- 18137
- DTXSID
DTXSID5040700- ChEMBL
CHEMBL1903982- UNII
- 21TQE746S9
- EC Number
- 221-066-9
- Nikkaji
- J48.157B
物性
構造計算による物性
- 極性表面積
- 27.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 134
実験および物理化学的性質
Chemical ClassesMetals -> Metalloid Compounds (Silicon)
SpringerMaterials PropertiesViscosity
Density1.062 @25 °C
Physical Description
Liquid
Clear liquid; [Acros Organics MSDS]
物理化学的性質
- 融点
- -25 °C · -25°C
- 沸点
- 233 °C · 233 °C(lit.)
- 比重(密度)
- 1.062 g/mL · 1.062 g/mL at 25 °C(lit.)
- 蒸気圧
- 0 · 0-12790Pa at 20-25℃
- 屈折率
- 20 · n20/D 1.468(lit.)
- 闪点
- 99 °F · 99 °F
- 貯蔵温度
- 2 · Inert atmosphere,2-8°C
- 外見
- 液体
- 比重
- 1.064 · 1.064
- 色
- 無色
- 臭い (Odor)
- Mild odor
- 水溶解度
- 水と反応する。
- BRN
- 2937896 · 2937896
- InChI
- 1S/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3
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 2% (5 of 252) of reports.
Warning
H226 (60.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 252 reports by companies from 14 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: Silane, trimethoxyphenyl-
Benzene, (trimethoxysilyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (trimethoxysilyl)- 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: Trimethoxyphenylsilane (EC: 221-066-9)
Silane, trimethoxyphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards Summary
Intravenous LD50 (mouse) = 180 mg/kg; [RTECS] Histopathological changes of the kidney, urinary bladder, and jejunum observed in oral study of rats at 250 mg/kg/day; No evidence of reproductive or developmental toxicity; [EPA - TSCATS] Prolonged or repeated ingestion exposure may cause urinary bladder injury; [ECHA REACH Registrations] Reacts with water evolving methanol; An irritant; [Acros Organics MSDS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Methyl alcohol. See Isobutyltrimethoxysilane.
化学と産業
用途と製造
Uses
Used to make fine and large scale chemicals, coatings, non-metal surface treatment products, sealants-adhesives, in mold making, and as a laboratory reagent; [ECHA REACH Registrations]
Molding and Core Making [Category: Foundry]
U.S. Production2023: 5,000,000 - <10,000,000 lb
Industry UsesHeat stabilizer
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Benzene, (trimethoxysilyl)-: ACTIVE
応用分野
使用Phenyltrimethoxysilane is used for nanoelectronics and material science research. It is used as crosslinking agent for silicone resin and to produce polymer organic silicon compound.
一般的な説明Trimethoxyphenylsilane (TMPS) is an organotrialkoxysilane that is used as a functional monomer in the sol-gel processing.
調製方法
純化方法Fractionate it through an efficient column but note that it forms an azeotrope with MeOH which is a likely impurity. [Kantor J Am Chem Soc 75 2712 1953 Beilstein 16 IV 1556.]
上流・下流製品情報
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