CAS 83622-41-7 2-(Dichloromethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (HCID 11042041)

基本情報

CAS: 83622-41-7
標準SMILES: CC1(C)OB(C(Cl)Cl)OC1(C)C
InChIKey: GQFQFYFLABSDDS-UHFFFAOYSA-N
分子式: C7H13BCl2O2
平均分子量: 210.89 g/mol
単同位体質量: 210.0385652

名称と識別子

優先名称: 2-(Dichloromethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(dichloromethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
現地名: 2-(ジクロロメチル)-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン
英語名: 1,3,2-Dioxaborolane, 2-(dichloroMethyl)-4,4,5,5-tetraMethyl-
分子式: C7H13BCl2O2
分子量: 210.89

名称と別名

83622-41-72-(dichloromethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID40453031RefChem:253701DTXCID00403850870-870-11,3,2-Dioxaborolane, 2-(dichloromethyl)-4,4,5,5-tetramethyl-MFCD27976342AKOS028108839AS-55673Pinacol (dichloromethyl) boronate, >=95%CS-0061124

名称をさらに表示

2-(ジクロロメチル)-4,4,5,5-テトラメチル-1,3,2-ジオキサボロランDichloromethyl pinacolboronatePinacol (dichloromethyl) boronate >=95%(Dichloromethyl)boronic Acid Pinacol Ester2-(Dichloromethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane（WS203860）

W17646Z1861999629Pinacol (dichloromethyl) boronateGQFQFYFLABSDDS-C7H13BCl2O2A902221SCHEMBL3332568Pinacol (Dichloromethyl)boronate

データベース識別子

CAS: 83622-41-7
PubChem CID: 11042041
DTXSID: DTXSID40453031

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: 1
重原子数: 12
形式電荷: 0
複雑度: 166

物理化学的性質

沸点: 103 °C · 103 °C(Press: 20 Torr)
比重(密度): 1.1423 · 1.1423
屈折率: 1.4511 · n/D 1.4511
貯蔵温度: 2 · Storage temp. 2-8°C
外見: 液体
InChI: 1S/C7H13BCl2O2/c1-6(2)7(3,4)12-8(11-6)5(9)10/h5H,1-4H3
InChIKey: GQFQFYFLABSDDS-UHFFFAOYSA-N
SMILES: B1(OC(C(O1)(C)C)(C)C)C(Cl)Cl

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

安全データ

wgk: WGK 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用Pinacol (dichloromethyl) boronate is a general reagent that was employed by Prof. Greg C. Fu and coworkers to achieve the iterative synthesis of asymmetric (secondary) alkyl boronate esters. These can be further derivatized through a growing suite of chemical transformations developed in the last decade (cross coupling, oxidation, amination, halogenation) that proceed with stereochemical fidelity.