5-(트리플루오로메틸)디벤조티오페늄 트리플루오로메탄술포네이트
5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
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기본 정보
- CAS
129946-88-9- 표준 SMILES
FC(F)(F)[s+]1c2ccccc2c2ccccc21.O=S(=O)([O-])C(F)(F)F- InChIKey
QXXHXTRTGZBOGD-UHFFFAOYSA-M- 분자식
- C14H8F6O3S2
- 평균 분자량
- 402.3 g/mol
- 단동위원소 질량
- 401.98190544
이름 및 식별자
- 우선 이름
- 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
- IUPAC
- trifluoromethanesulfonate;5-(trifluoromethyl)dibenzothiophen-5-ium
- 현지명
- 5-(트리플루오로메틸)디벤조티오페늄 트리플루오로메탄술포네이트
- 영어명
- S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
- 분자식
- C14H8F6O3S2
- 분자량
- 402.33
이름 및 동의어
5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonateRefChem:531784627-294-9129946-88-9S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate5-(Trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonateMFCD00236132trifluoromethanesulfonate;5-(trifluoromethyl)dibenzothiophen-5-iumS-(Trifluoromethyl)dibenzothiophenium triflatetrifluoromethanesulfonate 5-(trifluoromethyl)dibenzothiophen-5-iumC14H8F6O3S2Dibenzothiophenium, 5-(trifluoromethyl)-, 1,1,1-trifluoromethanesulfonate (1:1)
이름 더 보기
5-(트리플루오로메틸)디벤조티오페늄트리플루오로메탄술포네이트5-(Trifluoromethyl)-5H-dibenzo[b,D]thiophen-5-ium triflate5-(TRIFLUOROMETHYL)DIBENZOTHIOPHENIUM TRS-(TRIFLUOROMETHYL)DIBENZOTHIOPHENIUM TRIFLUOROMETHANESULPHONATE5-(TRIFLUOROMETHYL)DIBENZOTHIOPHENIUMTETRAFLUOROMETHANESULFONATECS-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate5-(TrifluoroMethyl)dibenzothiopheniuM trifluoroMethanesulfonate 97%
5-(Trifluoromethyl)dibenzothiophenium 1,1,1-TrifluoromethanesulfonateS-(trifluoromethyl)dibenzothiophenium trifluoromethane sulfonate5-(Trifluoromethyl)dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate5-(trifluoromethyl)-5H-dibenzo[bTrifluoromethanesulfonic Acid Ion(1-) 5-(trifluoromethyl)dibenzothiophenium; S-(Trifluoromethyl)dibenzothiophenium Triflate; S-(Trifluoromethyl)dibenzothiophenium Trifluoromethanesulfonate;FT-0643119SCHEMBL115549SCHEMBL29483957
데이터베이스 식별자
- CAS
129946-88-9- PubChem CID
- 2777507
- DTXSID
DTXSID10380542- EC Number
- 627-294-9
물성
구조 계산 물성보충 중
- 극성 표면적
- 66.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 412
물리화학적 성질
- 녹는점
- 155 °C · 155 °C
- 밀도
- 7 g/cm3 · 7 g/cm3
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- DMSO(약간 용해됨), 물(약간 용해됨, 가열)
- 물리적 상태
- 결정성 분말
- 색상
- 흰색에서 황갈색까지
- InChI
- InChI=1S/C13H8F3S.CHF3O3S/c14-13(15,16)17-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17;2-1(3,4)8(5,6)7/h1-8H;(H,5,6,7)/q+1;/p-1
- InChIKey
- QXXHXTRTGZBOGD-UHFFFAOYSA-M
- SMILES
- C12C=CC=CC=1C1=C(C=CC=C1)[S+]2C(F)(F)F.C(F)(F)(F)S([O-])(=O)=O
화학적 성질
S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate is white to pale brown crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 42 reports by companies from 5 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
- 3
- HS 번호
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate. Electrophilic trifluoromethylation in ionic liquids. Used in the stereoselective preparation of trifluoromethylalkynes by trifluoromethylation of terminal alkynes using Umemoto′s reagent and a copper catalyst.
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