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기본 정보
- CAS
147531-11-1- 표준 SMILES
FC(F)(F)[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F- InChIKey
YHEBUXDOUNWVNZ-UHFFFAOYSA-M- 분자식
- C14H10F6O3S2
- 평균 분자량
- 404.4 g/mol
- 단동위원소 질량
- 403.9975555
이름 및 식별자
- 우선 이름
- Diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonate
- IUPAC
- diphenyl(trifluoromethyl)sulfanium;trifluoromethanesulfonate
- 현지명
- 디페닐-(트리플루오로메틸)-술포늄트리플루오로메탄술포네이트
- 영어명
- Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate
- 분자식
- C13H10F3S.CF3O3S
- 분자량
- 404.35
이름 및 동의어
147531-11-1diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonateDTXSID60593403RefChem:338955DTXCID10544167DIPHENYL(TRIFLUOROMETHYL)SULFONIUM TRIFLUOROMETHANESULFONATEMFCD12912173diphenyl(trifluoromethyl)sulfanium;trifluoromethanesulfonateSulfonium, diphenyl(trifluoromethyl)-, 1,1,1-trifluoromethanesulfonate (1:1)Diphenyltrifluoromethylsulfonium TriflateDiphenyl-(trifluoromethyl)-sulfonium trifluoromethanesulfonateC14H10F6O3S2
이름 더 보기
디페닐-(트리플루오로메틸)-술포늄트리플루오로메탄술포네이트Diphenyl(trifluoromethyl)diphenyl(trifluoromethyl)sulfaniumsulfonium trifluoromethanesulfonatediphenyl-(trifluoroMethyl)-sulfoniuM(S)-(trifluoroMethyl)diphenylsulfoniuM triflateDiphenyl(trifluoromethyl)sulfonium trifluoromethanesulfotDiphenyl-(trifluoroMethyle)-sulfoniuM trifluoroMethancesulfonate
SCHEMBL6708430Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonatAKOS005063343DS-7584SB22073SY017427CS-0049606F608408
데이터베이스 식별자
- CAS
147531-11-1- PubChem CID
- 18401167
- DTXSID
DTXSID60593403- EC Number
- 809-133-6
물성
구조 계산 물성보충 중
- 극성 표면적
- 66.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 354
물리화학적 성질
- 녹는점
- 84 · 84-85 °C
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- InChI
- InChI=1S/C13H10F3S.CHF3O3S/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10H;(H,5,6,7)/q+1;/p-1
- InChIKey
- YHEBUXDOUNWVNZ-UHFFFAOYSA-M
- SMILES
- C(F)(F)(F)S(=O)(=O)[O-].C1=CC=CC([S+](C(F)(F)F)C2C=CC=CC=2)=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- HS 번호
- 29339900
- risk_code
- 36/37/38
- safety_code
- 26-36
화학 및 산업
응용 분야
용도Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate can be used as a raw material for organic synthesis with styrene derivatives to synthesise 2-arylazo pyridine at low temperature[1].
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