2-히드록시카바졸

2-Hydroxycarbazole

HCID 93551

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 86-79-3
표준 SMILES: Oc1ccc2c(c1)[nH]c1ccccc12
InChIKey: GWPGDZPXOZATKL-UHFFFAOYSA-N
분자식: C12H9NO
평균 분자량: 183.21 g/mol
단동위원소 질량: 183.06841391

개요

structure given in first source

이름 및 식별자

우선 이름: 2-Hydroxycarbazole
IUPAC: 9H-carbazol-2-ol
현지명: 2-히드록시카바졸
영어명: 2-Hydroxycarbazole
분자식: C12H9NO
분자량: 183.21

이름 및 동의어

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

이름 더 보기

2-하이드록시카바졸2-히드록시카바졸AURORA KA-45952-Hydroxycarbazole 97%2-Hydroxycarbazole,97%2-MonohydroxycarbazoleQS794 2-HYDROXYCARBAZOLE

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 36 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 218

물리화학적 성질

녹는점: 270 · 270-273 °C (lit.)
끓는 점: 316.88 °C · 316.88°C (rough estimate)
밀도: 1.1261 · 1.1261 (rough estimate)
굴절률: 1.588 · 1.5880 (estimate)
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: 고체
산도 계수 (pKa): 10.05 · 10.05±0.30(Predicted)
색상: 회색
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

화학적 성질

beige to light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 2
rtecs: FE6355000
HS 번호: 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
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Carbazol 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.

일반 설명2-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.