2-(TERT-ブチルアミノ)スルホニルフェニルボロン酸

Boronic acid, B-(2-(((1,1-dimethylethyl)amino)sulfonyl)phenyl)-

HCID 4997616

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 150691-04-6
標準SMILES: CC(C)(C)NS(=O)(=O)c1ccccc1B(O)O
InChIKey: TUEIURIZJQRMQE-UHFFFAOYSA-N
分子式: C10H16BNO4S
平均分子量: 257.12 g/mol
単同位体質量: 257.08930939

名称と識別子

優先名称: Boronic acid, B-(2-(((1,1-dimethylethyl)amino)sulfonyl)phenyl)-
IUPAC: [2-(tert-butylsulfamoyl)phenyl]boronic acid
現地名: 2-(TERT-ブチルアミノ)スルホニルフェニルボロン酸
英語名: 2-(tert-Butylamino)sulfonylphenylboronic acid
分子式: C10H16BNO4S
分子量: 257.11

名称と別名

Boronic acid, B-[2-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-Boronic acid, B-(2-(((1,1-dimethylethyl)amino)sulfonyl)phenyl)-RefChem:570127604-746-3150691-04-6(2-(N-(tert-Butyl)sulfamoyl)phenyl)boronic acid2-(TERT-BUTYLAMINO)SULFONYLPHENYLBORONIC ACID[2-(tert-butylsulfamoyl)phenyl]boronic AcidMFCD013189432-(t-Butylamino)sulfonylphenylboronic acid2-(TERT-BUTYLSULFAMOYL)PHENYLBORONIC ACID2-(N-TERT-BUTYLSULFAMOYL)PHENYLBORONIC ACID

名称をさらに表示

2-(TERT-ブチルアミノ)スルホニルフェニルボロン酸2-(T-ブチルアミノ)スルホニルフェニルボロン酸AKOS BRN-0531CHEMBRDG-BB 3200963N-TERT-BUTYLBENZENESULFONAMIDE-2-BORONIC ACID(2-((TERT-BUTYLAMINO)SULFANYL)PHENYL) BORONIC ACID[2-(tert-butylsulfamoyl)phenyl]boronic acid - [S20138]

Boronic acid, [2-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-SCHEMBL519774SCHEMBL29442141DTXSID60407374TUEIURIZJQRMQE-UHFFFAOYSA-NAKOS0041192982-Borono-N-tert-butylbenzenesulfonamideAB08766

データベース識別子

CAS: 150691-04-6
PubChem CID: 4997616
DTXSID: DTXSID60407374
EC Number: 604-746-3
Nikkaji: J1.628.487D

物性

構造計算による物性

極性表面積: 95 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 344

物理化学的性質

融点: 118 · 118-119 °C
沸点: 443.2 · 443.2±55.0 °C(Predicted)
比重(密度): 1.28 · 1.28±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 8 · 8.00±0.53(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.