CAS 849061-99-0 (E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester (HCID 16217940)

基本情報

CAS: 849061-99-0
標準SMILES: CC1(C)OB(/C=C/C2CC2)OC1(C)C
InChIKey: FCWYPDPDAZGFRJ-BQYQJAHWSA-N
分子式: C11H19BO2
平均分子量: 194.08 g/mol

名称と識別子

優先名称: (E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester
IUPAC: 2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
現地名: (TRANS)-2-シクロプロピルビニルボロン酸ピナコールエステル
英語名: trans-2-Cyclopropylvinylboronic acid pinacol ester, 96%
分子式: C11H19BO2
分子量: 194.08

名称と別名

(E)-2-Cyclopropylethylene-1-boronic acid, pinacol esterRefChem:406283641-146-0849061-99-0(E)-2-Cyclopropylvinylboronic acid pinacol ester(E)-2-(2-cyclopropylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-[(E)-2-CYCLOPROPYLETHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANEMFCD07369776trans-2-Cyclopropylvinylboronic acid pinacol ester1092449-35-8(trans)-2-Cyclopropylvinylboronic acid pinacol ester2-(2-CYCLOPROPYLVINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

名称をさらに表示

(TRANS)-2-シクロプロピルビニルボロン酸ピナコールエステルtrans-2-Cyclopropylvinylboronic acid pinacol ester,96%trans-2-Cyclopropylvinylboronic acid pinacol ester, 96%trans-2-Cyclopropylvinylboronic acid pinacol ester, 96%(trans)-2-Cyclopropylvinylboronic acid pinacol ester 96%(E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester 97%1,3,2-Dioxaborolane, 2-[(1E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-

2-[(E)-2-cyclopropylvinyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSCHEMBL447591FCWYPDPDAZGFRJ-BQYQJAHWSA-NAKOS015893167GS-5856FT160685SY122212DB-098371

データベース識別子

CAS: 849061-99-0
PubChem CID: 16217940
EC Number: 641-146-0
Nikkaji: J2.898.738B、J3.344.102I

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: 2
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 238

物理化学的性質

沸点: 90 · 90-95 °C/3-4 mmHg(lit.)
比重(密度): 0.937 g/mL · 0.937 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.466(lit.)
闪点: 93 °C · 93 °C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: 1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)8-7-9-5-6-9/h7-9H,5-6H2,1-4H3/b8-7+
InChIKey: FCWYPDPDAZGFRJ-BQYQJAHWSA-N
SMILES: CC1(C)OB(OC1(C)C)\C=C\C2CC2

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.