4-(tert-ブチルジメチルシリルオキシ)-1-ブチン

(But-3-yn-1-yloxy)(tert-butyl)dimethylsilane

HCID 4304567

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 78592-82-2
標準SMILES: C#CCCO[Si](C)(C)C(C)(C)C
InChIKey: NUZBJLXXTAOBPH-UHFFFAOYSA-N
分子式: C10H20OSi
平均分子量: 184.35 g/mol
単同位体質量: 184.12834179

名称と識別子

優先名称: (But-3-yn-1-yloxy)(tert-butyl)dimethylsilane
IUPAC: tert-butyl-but-3-ynoxy-dimethylsilane
現地名: 4-(tert-ブチルジメチルシリルオキシ)-1-ブチン
英語名: 4-(t-Butyldimethylsiloxy)butyne
分子式: C10H20OSi
分子量: 184.35

名称と別名

(but-3-yn-1-yloxy)(tert-butyl)dimethylsilaneRefChem:405963628-251-778592-82-24-(tert-Butyldimethylsilyloxy)-1-butynetert-butyl-but-3-ynoxy-dimethylsilaneSilane,(3-butyn-1-yloxy)(1,1-dimethylethyl)dimethyl-4-(T-butyldimethylsiloxy)butyneMFCD034270464-(tert-butyldimethylsiloxy)butyne(but-3-ynyloxy)(tert-butyl)dimethylsilane1-(t-butyldimethylsilyloxy)-3-butyne

名称をさらに表示

4-(tert-ブチルジメチルシリルオキシ)-1-ブチン(ブタ-3-イン-1-イルオキシ)(tert-ブチル)ジメチルシラン(ブト-3-イン-1-イルオキシ)(TERT-ブチル)ジメチルシランDK404DK911DKSI096DKFELEX0092SALOR-INT L308641-1EA5-(T-BUTYLDIMETHYLSILOXY)BUTYNE

SCHEMBL73070orb3175817DTXSID00401750NUZBJLXXTAOBPH-UHFFFAOYSA-NDDA59282t-Butyl-But-3-Ynoxy-Dimethylsilane1-(t-butyldimethylsiloxy)-3-butyne4-(t-Butyldimethylsiloxy)-1-butyne

データベース識別子

CAS: 78592-82-2
PubChem CID: 4304567
DTXSID: DTXSID00401750
EC Number: 628-251-7
Nikkaji: J524.300I

物性

構造計算による物性

極性表面積: 9.2 Å²
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: 4
重原子数: 12
形式電荷: 0
複雑度: 180

物理化学的性質

沸点: 70 · 70-74 °C/10 mmHg (lit.)
比重(密度): 0.893 g/mL · 0.893 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.43(lit.)
闪点: 137 °F · 137 °F
貯蔵温度: 2 · Storage temp. 2-8°C
外見: clear liquid
色: Colorless to Light yellow
比重: 0.893 · 0.893
InChI: 1S/C10H20OSi/c1-7-8-9-11-12(5,6)10(2,3)4/h1H,8-9H2,2-6H3
InChIKey: NUZBJLXXTAOBPH-UHFFFAOYSA-N
SMILES: CC(C)(C)[Si](C)(C)OCCC#C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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 41 reports by companies from 4 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

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

安全データ

wgk: 3
tsca: No
ridadr: UN 1993 3/PG 2
hs_code: 2931.90.9010
risk_code: 36/37/38
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36
hazard_class: CORROSIVE
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

使用4-(tert-Butyldimethylsilyloxy)-1-butyne may be used in the synthesis of 1-(tert-butyldimethylsilyloxy)-3-pentyn-5-ol and 1-(tert-butyldimethylsilyloxy)-6,6-dimethyl-3-heptyn-5-ol.