CAS 920304-57-0 N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (HCID 44629855)

基本情報

CAS: 920304-57-0
標準SMILES: CCN(CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: WVPMYKCIKQQJIV-UHFFFAOYSA-N
分子式: C16H26BNO2
平均分子量: 275.2 g/mol
単同位体質量: 275.20565947

名称と識別子

優先名称: N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC: N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
現地名: N,N-ジエチル-4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)アニリン
英語名: N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
分子式: C16H26BNO2
分子量: 275.19

名称と別名

920304-57-0N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilineDTXSID30659782RefChem:359041DTXCID90610531679-732-3MFCD100009564-(Diethylamino)phenylboronic Acid Pinacol Ester2-[4-(Diethylamino)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSCHEMBL1091446N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine4-(Diethylamino)benzeneboronic acid, pinacol ester

名称をさらに表示

N,N-ジエチル-4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)アニリン2-[4-(ジエチルアミノ)フェニル]-4,4,5,5-テトラメチル-1,3,2-ジオキサボロランN,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline>N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamineBenzenamine, N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(Diethylamino)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 4-(Diethylamino)phenylboronic Acid Pinacol Ester

BCP31412N,N-diethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)anilineFT-0715475WVPMYKCIKQQJIV-UHFFFAAKOS015838659AS-55614DA-40518SY021940

物性

構造計算による物性

極性表面積: 21.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 20
形式電荷: 0
複雑度: 304

物理化学的性質

沸点: 377 · 377.0±25.0 °C(Predicted)
比重(密度): 0.99 · 0.99±0.1 g/cm3(Predicted)
屈折率: 1.504 · 1.504
闪点: 181.82 · 181.82ºC
貯蔵温度: 2 · 2-8°C, protect from light
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 6.23 · 6.23±0.44(Predicted)
色: White to Almost white
InChI: InChI=1S/C16H26BNO2/c1-7-18(8-2)14-11-9-13(10-12-14)17-19-15(3,4)16(5,6)20-17/h9-12H,7-8H2,1-6H3
InChIKey: WVPMYKCIKQQJIV-UHFFFAOYSA-N
SMILES: C1(N(CC)CC)=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)

安全データ

PRTR法: 第一種指定化学物質
hs_code: 2931900090

化学と産業

応用分野

使用N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is an organoborane compound used as an intermediate in the manufacture of battery or probe materials.

サプライヤー47 社

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化合物ノート

読み込み中…

N,N-ジエチル-4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)アニリン