2-氨基苯硼酸频哪醇酯

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

HCID 2734652CAS 191171-55-8

子结构检索查找相似结构

基本信息

标准SMILES: CC1(C)OB(c2ccccc2N)OC1(C)C
InChIKey: ZCJRWQDZPIIYLM-UHFFFAOYSA-N
分子式: C12H18BNO2
平均分子量: 219.09 g/mol
单同位素质量: 219.14305922

名称与标识

首选名称: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
中文名: 2-氨基苯硼酸频哪醇酯
英文名: 2-Aminophenylboronic acid pinacol ester
分子式: C12H18BNO2
分子量: 219.09

名称与别名

191171-55-82-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anilineDTXSID50370422RefChem:84285DTXCID30321457626-344-72-Aminophenylboronic acid pinacol esterMFCD021794482-aminophenylboronic acid, pinacol ester2-(tetramethyl-1,3,2-dioxaborolan-2-yl)anilineBenzenamine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-aminobenzeneboronic acid pinacol ester

展开更多名称

2-二恶硼烷)苯胺邻氨基苯硼酸频哪醇酯2-氨基苯硼酸哪醇酯2-氨基苯硼酸频呐醇酯2-氨基苯硼酸频那醇酯2-氨基苯硼酸频呢醇酯2-氨基苯硼酸頗哪醇酯2-氨基苯硼酸嚬哪醇酯2-硼酸频那醇酯基苯胺2-氨基苯基硼酸频哪醇酯an-2-yLCAS:191171-55-8-1,3,2-dioxaboroL2-(4,4,5,5-TetramethyL2-Aminophenylboronic A2-DIOXABOROLAN-2-YL)ANILINE2-Aminobenzeneboronic acid pin2-Aminophenylboronic acid picol ester

(2-aminophenyl)boronic acid pinacol esterAKOS005256282AS-3013SY0080612-(2-AMINOPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANEEN300-1951882-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenylamine2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE;2-AMINOPHENYLBORONIC ACID, PINACOL CYCLIC ESTER;2-AMINOPHENYLBORONIC ACID, PINACOL ESTER;2-AMINOBENZENEBORONIC ACID PINACOL ESTER;2-Aminobenzeneboronic acid pinacol cyclic ester;2-Aminophenylboronic a

数据库标识

CAS: 191171-55-8
PubChem CID: 2734652
DTXSID: DTXSID50370422
EC Number: 626-344-7
Nikkaji: J1.486.110F

性质

结构计算性质

极性表面积: 44.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 16
形式电荷: 0
复杂度: 252

物理化学性质

熔点: 63 · 63-68 °C (lit.)
沸点: 125 °C/1.5mmHg · 125°C/1.5mmHg(lit.)
密度: 1.05 · 1.05±0.1 g/cm3(Predicted)
储存条件: Keep in dark place,Sealed in dry,Room Temperature
溶解度: Chloroform (Slightly), Methanol (Slightly)
形态: Crystalline Powder
酸度系数(pKa): 3.51 · 3.51±0.10(Predicted)
颜色: Cream
水溶解性: Insoluble
敏感性: Air Sensitive
BRN: 8548809 · 8548809
InChI: InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,14H2,1-4H3
InChIKey: ZCJRWQDZPIIYLM-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC=C1B1OC(C)(C)C(C)(C)O1
CAS 数据库: 191171 · 191171-55-8(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

wgk: 3
存储类别: 11 - Combustible Solids
安全说明: 26-36
海关编码: 29310099
危险品标志: Xi,Xn
危险性类别: Eye Irrit. 2Skin Irrit. 2STOT SE 3
危险类别码: 36/37/38-20/21/22

化学与工业

应用领域

概述氨基硼酸频那醇酯作为药物和有机发光材料(LED)合成的中间体，目前多侧重于该类化合物的应用。

用途2-氨基苯硼酸频哪醇酯为酯类衍生物，用作有机试剂。

上下游产品信息

下游产品

2-氨基苯硼酸

试剂价格

T3543 · 1g: 2-(4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷-2-基)苯胺2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline — 100元
T3543 · 5g: 2-(4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷-2-基)苯胺2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline — 320元