2-ベンジル-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン

2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 3864964
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部分構造検索類似構造を探す

基本情報

CAS
87100-28-5
標準SMILES
CC1(C)OB(Cc2ccccc2)OC1(C)C
InChIKey
YCNQPAVKQPLZRS-UHFFFAOYSA-N
分子式
C13H19BO2
平均分子量
218.1 g/mol
単同位体質量
218.14781

名称と識別子

優先名称
2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC
2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
現地名
2-ベンジル-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン
英語名
Benzylboronic acid pinacol ester
分子式
C13H19BO2
分子量
218.1

名称と別名

87100-28-52-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID801007338RefChem:465651DTXCID101434194679-569-8Benzylboronic acid pinacol esterMFCD05663841121074-61-14,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(phenylmethyl)-benzylboronic pinacol ester
名称をさらに表示
2-ベンジル-4,4,5,5-テトラメチル-1,3,2-ジオキサボロランベンジルボロン酸ピナコールエステル2-ベンジル(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン)pinacol benzylboronatebenzylboronic acidolesterBenzylboronic acid pinacol estPinarylbenzylboronic acid esterBenzylboronic acid pinacol ester 96%2-BENZYL-4,4,5,5-TETRAMETHYL-(1,3,2)DIOXABOROLANE2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane >4,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane3-hydroxy-2,3-dimethylbutan-2-yl hydrogen benzylboronate
SCHEMBL142096orb2940486benzyl boronic acid pinacol esterYCNQPAVKQPLZRS-UHFFFAOYSA-NTYD-00092AKOS005259533AB21925Benzylboronic acid pinacol ester, 96%

データベース識別子

CAS
87100-28-5
PubChem CID
3864964
DTXSID
DTXSID801007338
EC Number
679-569-8
Nikkaji
J1.147.021A

物性

構造計算による物性

極性表面積
18.5 Ų
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
16

物理化学的性質

沸点
65 °C0.15 · 65 °C0.15 mm Hg
比重(密度)
0.98 g/mL · 0.980 g/mL at 25 °C
屈折率
20 · n20/D 1.490
闪点
230 °F · >230 °F
貯蔵温度
-20 °C · Inert atmosphere,Store in freezer, under -20°C
外見
clear liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).；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 CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (33.3%)

安全データ

wgk
3
PRTR法
第一種指定化学物質
hs_code
2931900090
消防法
危-4-3-III
hazard_code
Xi
hazard_note
Irritant

化学と産業

応用分野

用途有機合成原料。

使用Benzylboronic acid pinacol ester finds application in Pd (0)-mediated [11 C] carbonylation reaction.

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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