CAS 1227068-84-9 2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (HCID 59351393)

基本情報

CAS: 1227068-84-9
標準SMILES: CC1(C)OB(C2=CCC(F)(F)CC2)OC1(C)C
InChIKey: WSLRIJFIFPFAFB-UHFFFAOYSA-N
分子式: C12H19BF2O2
平均分子量: 244.09 g/mol
単同位体質量: 244.1446163

名称と識別子

優先名称: 2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
英語名: 2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane
分子式: C12H19BF2O2
分子量: 244.09

名称と別名

1227068-84-92-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID80731608RefChem:251769DTXCID70682352837-348-54,4-Difluorocyclohexene-1-boronic Acid Pinacol EsterC12H19BF2O24,4-Difluoro-1-cyclohexene-1-boronic acid pinacol esterMFCD116179242-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-(4,4-difluorocyclohex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

名称をさらに表示

4,4-difluorocyclohexyl boronic esterE)-1-Ethoxyethylene-2-boronic acid pinacol ester2-(4,4-DIFLU0R0CYCL0HEX-1- EN-l-YD-4, 4, 5, 5- TETRAMETHYL-1, 3, 2-

2-(4,4-DIFLUORO-1-CYCLOHEXEN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANESCHEMBL6620741,3,2-DIOXABOROLANE, 2-(4,4-DIFLUORO-1-CYCLOHEXEN-1-YL)-4,4,5,5-TETRAMETHYL-4,4-DIFLUOROCYCLOHEX-1-ENYLBORONIC ACID PINACOL ESTER(4,4-DIFLUOROCYCLOHEX-1-EN-1-YL)BORONIC ACID PINACOL ESTERBCP32085FT-0762706A855949

データベース識別子

CAS

物性

構造計算による物性

極性表面積: 18.5 Å²
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: 1
重原子数: 17
形式電荷: 0
複雑度: 334

物理化学的性質

沸点: 233.3 · 233.3±50.0 °C(Predicted)
比重(密度): 1.06 · 1.06±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野 · 1 件

使用2-(4,4-Difluoro-1-cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, is used as a reagent in the preparation of 4-(cycloalkanyloxy)benzenesulfonamide derivatives as inhibitors of voltage-gated sodium channel for prevention and treatment of pains.