티옥산텐-9-온

티옥산텐-9-온
티옥산텐-9-온 구조식 이미지
카스 번호:
492-22-8
한글명:
티옥산텐-9-온
동의어(한글):
티옥산텐-9-온;싸이옥산텐-9-온
상품명:
Thioxanthen-9-one
동의어(영문):
THIOXANTHONE;9H-THIOXANTHEN-9-ONE;Thioxanthenone;Thioxanthene-9-one;Thiaxanthon;Thiaxanthone;1-xanthenone;Thiaxanthenone;9-THIOXANTHONE;9-THIOXANTHENONE
CBNumber:
CB5228030
분자식:
C13H8OS
포뮬러 무게:
212.27
MOL 파일:
492-22-8.mol

티옥산텐-9-온 속성

녹는점
210-213 °C(lit.)
끓는 점
371-373 °C715 mm Hg(lit.)
밀도
1.2247 (rough estimate)
굴절률
1.5700 (estimate)
인화점
371-373°C/715mm
저장 조건
2-8°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
색상
연한 노란색에서 밝은 노란색까지
수용성
실질적으로 불용성
Merck
14,9369
BRN
140978
안정성
안정적인. 강한 산화제와 호환되지 않습니다.
InChIKey
YRHRIQCWCFGUEQ-UHFFFAOYSA-N
CAS 데이터베이스
492-22-8(CAS DataBase Reference)
NIST
Thioxanthone(492-22-8)
EPA
Thioxanthone (492-22-8)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xi
위험 카페고리 넘버 36/37/38
안전지침서 22-24/25-37/39-26
WGK 독일 3
위험 참고 사항 Irritant
TSCA Yes
HS 번호 29349990
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H302 삼키면 유해함 급성 독성 물질 - 경구 구분 4 경고 GHS hazard pictograms P264, P270, P301+P312, P330, P501
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고 GHS hazard pictograms
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
NFPA 704
1
0 0

티옥산텐-9-온 MSDS


9-Oxothioxanthene

티옥산텐-9-온 C화학적 특성, 용도, 생산

개요

Thioxanthone 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.

화학적 성질

slightly yellow crystalline powder

용도

Thioxanthen-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.

Purification Methods

It forms yellow needles from CHCl3 or EtOH and sublimes in vacuo. It is soluble in CS2, hot AcOH, and dissolves in conc H2SO4 to give a yellow colour with green fluorescence in VIS light. The sulfone has m 187o (from EtOH), and the hydrazone has m 115o (yellow leaflets from EtOH/*C6H6). The oxime has m 194-196o (from pet ether). [Szmant et al. J Org Chem 18 745 1953, Ullmann et al. Chem Ber 49 2509 1916, NMR: Sharpless et al. Org Magn Res 6 115 1974, Beilstein 17 H 357, 17 I 191, 17 III/IV 5302, 17/10 V 437.]

Structure and conformation

Thioxanthen-9-one (TX) is a aromatic ketone. In comparison with other aromatic ketones, TX has a high triplet energy and a relatively long triplet lifetime, while it has the ability to participate successfully in merger reactions with metal complexes. The conformation of TX is not fixed, but it interconverts from a planar (C2v) to a non-planar conformation. In the case of TX, the intersystem crossing of an electron normally occurs from a non-bonding orbital (n) to an anti-bonding pi orbital (π*) (nπ* configuration) and occurs 103 times faster than in the case of migration from the same type of molecular orbital (ππ* migration).Theoretical studies support that TX's low lying triplet state is close enough to the singlet state, favoring in this way internal conversion (IC) and ISC upon photoexcitation. Due to its high triplet energy, TX is an efficient sensitizer for oxygen, leading to singlet oxygen, since the excitation of oxygen requires around 23 kcal mol-1[1].

티옥산텐-9-온 준비 용품 및 원자재

원자재

준비 용품


티옥산텐-9-온 공급 업체

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