2(3H)-ベンゾチアゾロン(934-34-9)

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2(3H)-ベンゾチアゾロン 製品概要
化学名:2(3H)-ベンゾチアゾロン
英語化学名:2-Benzothiazolol
别名:2(3H)-Benzothiazolone(9CI);2-Hydroxybenzothiazole, HPLC 97%;2-BENZOTHIAZOL;2-hydroxy benzothiazo1e;2-Oxobenzothiazole;3H-1,3-Benzothiazol-2-one;2,3-Dihydrobenzothiazole-2-one;Benzothiazol-2-ol
CAS番号:934-34-9
分子式:C7H5NOS
分子量:151.19
EINECS:213-281-1
カテゴリ情報:pharmacetical;BENZOTHIAZOLE
Mol File:934-34-9.mol
2(3H)-ベンゾチアゾロン
2(3H)-ベンゾチアゾロン 物理性質
融点 137-140 °C (lit.)
沸点 360°C (rough estimate)
比重(密度) 1.2170 (rough estimate)
屈折率 1.5500 (estimate)
貯蔵温度 Keep in dark place,Sealed in dry,Room Temperature
溶解性Chloroform (Slightly, Sonicated), DMSO (Slightly)
外見 Solid
酸解離定数(Pka)10.41±0.20(Predicted)
White to Off-White
LogP1.760
CAS データベース934-34-9(CAS DataBase Reference)
NISTの化学物質情報2-Benzothiazolol (keto form)(934-34-9)
EPAの化学物質情報2(3H)-Benzothiazolone (934-34-9)
安全性情報
主な危険性 Xn
Rフレーズ 20/21/22
Sフレーズ 36
WGK Germany 3
TSCA Yes
HSコード 29061990
MSDS Information
ProviderLanguage
2-Hydroxybenzothiazole English
SigmaAldrich English
ACROS English
ALFA English
2(3H)-ベンゾチアゾロン Usage And Synthesis
外観白色~うすい黄褐色、結晶~結晶性粉末
化学的特性off-white to light brown crystalline powder
使用2-Hydroxybenzothiazole may be employed as carbon, nitrogen and energy supplement in the bacterial cultures. It may be used in the preparation of insulating thin polymer (<0.1μm), via electropolymerization.
定義ChEBI: Benzothiazole substituted with a hydroxy group at the 2-position.
Synthesis Reference(s)Journal of the American Chemical Society, 72, p. 4890, 1950 DOI: 10.1021/ja01167a011
一般的な説明2-Hydroxybenzothiazole (2-OHBT) is a 2-substituted benzothiazole. It is a tautomer of 2-benzothiazolinone. Its enthalpy of formation in the gas phase has been determined using high-level ab initio molecular orbital calculations at the G3(MP2)//B3LYP level of theory. Polarized IR spectra of the hydrogen-bonded molecular crystals of 2-OHBT have been studied. Oxidation of 2-OHBT using H2O2/UV and iron(III) photoassisted Fenton techniques have been reported. 2-OHBT is released into wastewaters during the industrial production of 2-mercaptobenzothiazole, a rubber vulcanization accelerator. The anodic oxidation of 2-OHBT on copper, iron and platinum in alcohol and alcohol-water solutions by cyclic polarization and chronoamperometry has been reported.
純化方法Crystallise it from aqueous EtOH or water. [Hoggarth J Chem Soc 3314 1949, Hunter J Chem Soc 135 1930, Beilstein 27 H 182, 27 I 270, 27 II 225, 27 III/IV 2693.]
Tags:934-34-9