基本情報
- 標準SMILES
O[Si](c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
NLSXASIDNWDYMI-UHFFFAOYSA-N- 分子式
- C18H16OSi
- 平均分子量
- 276.4 g/mol
- 単同位体質量
- 276.09704166
名称と識別子
- 優先名称
- Triphenylsilanol
- IUPAC
- hydroxy(triphenyl)silane
- 現地名
- トリフェニルシラノール
- 英語名
- Triphenylsilanol
- 分子式
- C18H16OSi
- 分子量
- 276.4
名称と別名
名称をさらに表示
データベース識別子
- CAS
791-31-1- PubChem CID
- 69925
- DTXSID
DTXSID1036545- ChEMBL
CHEMBL378228- ChEBI
CHEBI:35035- UNII
- AZC8O4TTX4
- EC Number
- 212-339-3
- Nikkaji
- J48.154H
物性
構造計算による物性
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 240
実験および物理化学的性質
物理化学的性質
- 融点
- 150 · 150-153 °C (lit.)
- 沸点
- 389 °C · 389 °C [760mmHg]
- 比重(密度)
- 1.13 · 1.13
- 屈折率
- 1.628 · 1.628
- 闪点
- 200 °C · >200°C
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 外見
- 粉
- 酸解離定数(Pka)
- 13.39 · 13.39±0.58(Predicted)
- 色
- 白い
- 水溶解度
- 反応する
- BRN
- 985007 · 985007
- InChIKey
- NLSXASIDNWDYMI-UHFFFAOYSA-N
- CAS データベース
- 791 · 791-31-1(CAS DataBase Reference)
- NISTの化学物質情報
- Silanol, triphenyl-(791-31-1)
- EPAの化学物質情報
- Silanol, triphenyl- (791-31-1)
化学的性質
化学的特性White crystal
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 36.1% (26 of 72) of reports.
Warning
H315 (63.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (63.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (61.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 26 of 72 reports by companies.;There are 4 notifications provided by 46 of 72 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Silanol, triphenyl-
Triphenylsilanol: Does not have an individual approval but may be used under an appropriate group standard
法規制情報
Regulatory Information
Chemical: Silanol, triphenyl-
Triphenylsilanol: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- F
- 21
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- VV4325500
- hs_code
- 29310095
- risk_code
- 36/37/38
- 化審法
- (3)-2638
- hazard_code
- Xi
- safety_code
- 26-36
化学と産業
用途と製造
応用分野
使用Triphenylsilanol is used as a water surrogate for regioselective Pd catalyzed allylations. A thick on germanium substrates have been produced by the electron bombardment of an evaporated thin film of triphenylsilanol.
調製方法
純化方法It is purified by dissolving in pet ether, passing through an Al2O3 column, eluting thoroughly with CCl4 to remove impurities and then eluting the silanol with MeOH. Evaporation gives crystals with m 153-155o. It can be recrystallised from pet ether, CCl4 or from *benzene or Et2O/pet ether (1:1). It has also been recrystallised by partial freezing from the melt to constant melting point. [George & Gilman J Am Chem Soc 81 3288 1959, IR: Tatlock & Rochow J Org Chem 17 1555 1952 and Richards & Thompson J Chem Soc 124 1949, Beilstein 16 IV 1480.]
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義ChEBI: An organosilanol in which silicon is bonded to a single hydroxy function and to three phenyl groups.
関連反応
関連ノート
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