티옥산텐-9-온

Thioxanthone

HCID 10295CAS 492-22-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=c1c2ccccc2sc2ccccc12
InChIKey: YRHRIQCWCFGUEQ-UHFFFAOYSA-N
분자식: C13H8OS
평균 분자량: 212.27 g/mol
단동위원소 질량: 212.02958588

개요

structure in first source

이름 및 식별자

우선 이름: Thioxanthone
IUPAC: thioxanthen-9-one
현지명: 티옥산텐-9-온
영어명: Thioxanthen-9-one
분자식: C13H8OS
분자량: 212.27

이름 및 동의어

Thioxanthen-9-one492-22-89H-THIOXANTHEN-9-ONEThioxanthone9-ThioxanthoneThiaxanthenoneThioxanthenoneThiaxanthon9H-Thioxanthene, 9-oxo-EOK1SAC304NSC-15912NSC-658181

이름 더 보기

티옥산텐-9-온싸이옥산텐-9-온9-THIOXANTHENONE9-thione1-xanthenone

DTXSID8060082RefChem:189678DTXCID0040674207-749-4ThiaxanthoneThioxanthene-9-one9-Oxothioxanthene10-Thioxanthone

데이터베이스 식별자

CAS: 492-22-8
PubChem CID: 10295
DTXSID: DTXSID8060082
ChEMBL: CHEMBL83371
UNII: EOK1SAC304
EC Number: 207-749-4
Nikkaji: J1.555E

물성

구조 계산 물성

XLogP: 4
극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 239

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Aromatic Compounds

SpringerMaterials PropertiesSchoenflies notation

Vapor Pressure0.0000135 [mmHg]

Physical DescriptionYellow solid; [Merck Index] Light yellow crystalline solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 210 · 210-213 °C(lit.)
끓는 점: 371 · 371-373 °C715 mm Hg(lit.)
밀도: 1.2247 · 1.2247 (rough estimate)
굴절률: 1.57 · 1.5700 (estimate)
인화점: 371 · 371-373°C/715mm
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: Solid
색상: 연한 노란색에서 밝은 노란색까지
수용성: 실질적으로 불용성
Merck: 14 · 14,9369
BRN: 140978 · 140978
안정성: 안정적인. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C13H8OS/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChIKey: YRHRIQCWCFGUEQ-UHFFFAOYSA-N
SMILES: O=C1c2ccccc2Sc3ccccc13
NIST: Thioxanthone(492-22-8)
EPA: Thioxanthone (492-22-8)

화학적 성질

slightly yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 97.4% (37 of 38) of all reports.

Not Classified

Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-37/39-26
위험 참고 사항: Irritant
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information9H-Thioxanthen-9-one: ACTIVE

응용 분야 · 2건

개요Thioxanthone is a heterocyclic compound that is a sulfur analog of xanthone.Thioxanthone can be prepared by the reaction of diphenyl sulfide with phosgene in the presence of catalytic aluminium chloride. This synthesis can be seen as a special case of the Friedel-Crafts acylation. The reduction product is thioxanthene.Thioxanthone dissolves in concentrated sulfuric acid to give a yellow colored liquid with intense green fluorescence. A mixture of the thioxanthone derivatives of 2- and 4-isopropylthioxanthone (ITX) is used in the printing industry. Pharmaceutical drugs that are derivatives of thioxanthone include hycanthone and lucanthone.

용도Thioxanthen-9-one is a reagent and a starting material for the synthesis of Metixene Hydrochloride. It is also used for highly functional group tolerant and chemoselective oxidation of aromatic or aliphatic sulfides to sulfoxides with hydrogen peroxide.