5-(트리플루오로메틸)디벤조티오페늄 테트라플루오로보레이트

5-(Trifluoromethyl)-5H-dibenzo[B,D]thiophen-5-ium tetrafluoroborate

HCID 2777504

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 131880-16-5
표준 SMILES: FC(F)(F)[s+]1c2ccccc2c2ccccc21.F[B-](F)(F)F
InChIKey: VTVISWLINKWMQZ-UHFFFAOYSA-N
분자식: C13H8BF7S
평균 분자량: 340.07 g/mol
단동위원소 질량: 340.0327992

이름 및 식별자

우선 이름: 5-(Trifluoromethyl)-5H-dibenzo[B,D]thiophen-5-ium tetrafluoroborate
IUPAC: 5-(trifluoromethyl)dibenzothiophen-5-ium tetrafluoroborate
현지명: 5-(트리플루오로메틸)디벤조티오페늄 테트라플루오로보레이트
영어명: S-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate
분자식: C13H8BF7S
분자량: 340.07

이름 및 동의어

5-(Trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium tetrafluoroborate5-(TRIFLUOROMETHYL)-5H-DIBENZO(B,D)THIOPHEN-5-IUM TETRAFLUOROBORATERefChem:531774806-503-9131880-16-55-(Trifluoromethyl)dibenzothiophenium tetrafluoroborateS-(Trifluoromethyl)dibenzothiophenium tetrafluoroborateMFCD010735455-(trifluoromethyl)dibenzothiophen-5-ium;tetrafluoroborateC13H8BF7SDibenzothiophenium, 5-(trifluoromethyl)-, tetrafluoroborate(1-) (1:1)SCHEMBL629520

이름 더 보기

5-(트리플루오로메틸)디벤조티오페늄테트라플루오로보레이트Umemoto's reagent5-(TRIFLUOROMETHYL)DIBENZOTHIOPHENIUM TES-(TrifluoroMethyl)dibenzothiopheniuM tetrafluorobS-(trifluoromethyl) dibenzothiophenol tetrafluoroborateS-(trifluoromethyl) dibenzothiophenohm tetrafluoroborateS-(TRIFLUOROMETHYL)-DIBENZOTHIOPHENIUM TETRAFLUOROBORATES-(Trifluoromethyl)dibenzothiopheniumtetrafluoroborate98%S-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate 98%

GS-36545-(trifluoromethyl)-5H-dibenzo[b5-(Trifluoromethyl)dibenzothiopheniumtetrafluoroborateSCHEMBL30800272DTXSID50380541AKOS016004863SY029820F227741

데이터베이스 식별자

CAS: 131880-16-5
PubChem CID: 2777504
DTXSID: DTXSID50380541
EC Number: 806-503-9

물성

구조 계산 물성

극성 표면적: 1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 0
무거운 원자 수: 22
형식 전하: 0
복잡도: 286

물리화학적 성질

녹는점: 171 · 171-172°C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
InChI: InChI=1S/C13H8F3S.BF4/c14-13(15,16)17-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17;2-1(3,4)5/h1-8H;/q+1;-1
InChIKey: VTVISWLINKWMQZ-UHFFFAOYSA-N
SMILES: [B+3]([F-])([F-])([F-])[F-].C([S+]1C2=CC=CC=C2C2C=CC=CC1=2)(F)(F)F

화학적 성질

White to yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: 3
HS 번호: 29349990
hazard_code: Xi
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도5-(Trifluoromethyl)dibenzothiophenium Tetrafluoroborate is used to synthesize ortho-trifluoromethylated and ortho-(fluoro)alkylated pyridine derivatives. It is used as a CF3 source under visible light irradiation for the photoredox-catalyzed trifluoromethylation of electron rich alkene resulting in 1,3-bis(trifluoromethyl)-1-propenyl skeleton.

공급사94 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海恩氟佳科技有限公司15800445152 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

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