基本情報
- 標準SMILES
C=C(C)O[Si](C)(C)C- InChIKey
UAIFZYSPVVBOPN-UHFFFAOYSA-N- 分子式
- C6H14OSi
- 平均分子量
- 130.26 g/mol
- 単同位体質量
- 130.0813916
名称と識別子
- 優先名称
- Silane, trimethyl((1-methylethenyl)oxy)-
- IUPAC
- trimethyl(prop-1-en-2-yloxy)silane
- 現地名
- イソプロペニルオキシトリメチルシラン
- 英語名
- Isopropenyloxytrimethylsilane
- 分子式
- C6H14OSi
- 分子量
- 130.26
名称と別名
名称をさらに表示
データベース識別子
- CAS
1833-53-0- PubChem CID
- 74599
- DTXSID
DTXSID4062014- UNII
- JHQ95GJ9U6
- EC Number
- 217-393-1
- Nikkaji
- J149.470H
物性
構造計算による物性
- 極性表面積
- 9.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 91
実験および物理化学的性質
物理化学的性質
- 融点
- 40 · 40-45 °C
- 沸点
- 93 · 93-95 °C
- 比重(密度)
- 0.78 g/mL · 0.78 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.395(lit.)
- 闪点
- 45 °F · 45 °F
- 貯蔵温度
- -20 °C · -20°C
- 外見
- clear liquid
- 色
- Colorless to Light orange to Yellow
- 比重
- 0.786 · 0.786
- BRN
- 1849023 · 1849023
- InChI
- 1S/C6H14OSi/c1-6(2)7-8(3,4)5/h1H2,2-5H3
- InChIKey
- UAIFZYSPVVBOPN-UHFFFAOYSA-N
- SMILES
- CC(=C)O[Si](C)(C)C
- CAS データベース
- 1833 · 1833-53-0(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · CH2=(CH3)OSi(CH3)3(1833-53-0)
- EPAの化学物質情報
- Silane, trimethyl[(1-methylethenyl)oxy]- (1833-53-0)
化学的性質
化学的特性clear colorless liquid
安全と法規制
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
安全データ
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- hs_code
- 2931900090
- risk_code
- 11-36/37/38
- 化審法
- (2)-2960
- 消防法
- 危-4-1-II
- hazard_code
- F,Xi
- safety_code
- 16-26-36-37/39
- hazard_class
- 3.1
- packing_group
- II
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
応用分野
一般的な説明(Isopropenyloxy)trimethylsilane is an enol silyl ether. It participates as nucleophile in Lewis acid-promoted C3-nucleophile substitution of tetracyclic bromide. It is reported to participate in the total synthesis of (±)-powelline. It is reported to participate in dityltin bis(triflate) catalyzed Michael addition reaction of enol silyl ethers.
調製方法
純化方法Purify it by fractional distillation using a very efficient column at atmospheric pressure. It usually contains 5% of hexamethyldisiloxalane which boils at 99-101o, but is generally non-reactive and need not be removed. [Hauser & Hance J Am Chem Soc 71 5091 1952.] It has been distilled under N2 through a 15cm column packed with glass helices. Fraction b 99-104o is further purified by gas chromatography through a Carbowax column (Autoprep A 700) at a column temperature of 87o, and has a retention time of 9.5minutes. [Krüger & Rochow J Organomet Chem 1 476 1963-4.]
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