9H-カルバゾール-2-オール

2-Hydroxycarbazole

HCID 93551

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 86-79-3
標準SMILES: Oc1ccc2c(c1)[nH]c1ccccc12
InChIKey: GWPGDZPXOZATKL-UHFFFAOYSA-N
分子式: C12H9NO
平均分子量: 183.21 g/mol
単同位体質量: 183.06841391

概要

structure given in first source

名称と識別子

優先名称: 2-Hydroxycarbazole
IUPAC: 9H-carbazol-2-ol
現地名: 9H-カルバゾール-2-オール
英語名: 2-Hydroxycarbazole
分子式: C12H9NO
分子量: 183.21

名称と別名

2-Hydroxycarbazole9H-Carbazol-2-ol86-79-3Carbazol-2-olSH4E4EQ2YZDTXSID50235340RefChem:87502DTXCID50157831201-699-72-Hydroxy-9H-carbazole2-CarbazololMFCD00004962

名称をさらに表示

9H-カルバゾール-2-オール2-カルバゾロール2-モノヒドロキシカルバゾール2-ヒドロキシカルバゾール2-ヒドロキシ-9H-カルバゾールAURORA KA-45952-Hydroxycarbazole 97%2-Hydroxycarbazole,97%2-MonohydroxycarbazoleQS794 2-HYDROXYCARBAZOLE

CCRIS 5301EINECS 201-699-7BRN 01358592-hydroxy-9H-carbazol2-Hydroxycarbazole, 97%Oprea1_146166SCHEMBL150279SCHEMBL4889238

データベース識別子

CAS: 86-79-3
PubChem CID: 93551
DTXSID: DTXSID50235340
ChEMBL: CHEMBL1170901
UNII: SH4E4EQ2YZ
EC Number: 201-699-7
Nikkaji: J192.640C

物性

構造計算による物性

XLogP: 3.5
極性表面積: 36 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 218

物理化学的性質

融点: 270 · 270-273 °C (lit.)
沸点: 316.88 °C · 316.88°C (rough estimate)
比重(密度): 1.1261 · 1.1261 (rough estimate)
屈折率: 1.588 · 1.5880 (estimate)
貯蔵温度: 2 · 2-8°C, stored under nitrogen
外見: solid
酸解離定数(Pka): 10.05 · 10.05±0.30(Predicted)
色: Grey
BRN: 135859 · 135859
InChI: 1S/C12H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-7,13-14H
InChIKey: GWPGDZPXOZATKL-UHFFFAOYSA-N
SMILES: Oc1ccc2c(c1)[nH]c3ccccc23
CAS データベース: 86 · 86-79-3(CAS DataBase Reference)

化学的性質

化学的特性beige to light brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 2
rtecs: FE6355000
hs_code: 2933998090
risk_code: 36/37/38-34
hazard_code: Xi,C,T,F
safety_code: 26-36-37/39-45-36/37/39-27
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用Carbazol has been found possible to distinguish between heparin, heparin derivatives, and other polyuronides of connective tissue. A new modification of the carbazole analysis is useful for determination of d-mannuronic acid in heteropolysaccharides. 2-Hydroxycarbazole was used in the synthesis of isochromene fused carbazol, (4aS,13bR)-2,5,5-trimethyl-3,4,4a,5,8,13b-hexahydroisochromeno[3,4-b]carbazole.

一般的な説明2-Hydroxycarbazole is a compound structurally related to the Ca2+-mobilizing marine toxin, 9-methyl-7-bromoeudistomin. Room temperature electronic absorption and fluorescence spectra of 2-hydroxycarbazole has been studied in concentrated aqueous potassium hydroxide solutions. It undergoes chemoselective N-alkylation using NaH as a base in a THF-DMF solvent system.