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

HCID 2777504
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基本情報

CAS
131880-16-5
標準SMILES
FC(F)(F)[s+]1c2ccccc2c2ccccc21.F[B-](F)(F)F
InChIKey
VTVISWLINKWMQZ-UHFFFAOYSA-N
分子式
C13H8BF7S
平均分子量
340.07 g/mol
単同位体質量
340.0327992

名称と識別子

優先名称
5-(Trifluoromethyl)-5H-dibenzo[B,D]thiophen-5-ium tetrafluoroborate
IUPAC
5-(trifluoromethyl)dibenzothiophen-5-ium tetrafluoroborate
英語名
S-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate
分子式
C13H8BF7S
分子量
340.07

名称と別名

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
名称をさらに表示
Umemoto'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

データベース識別子

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

物性

構造計算による物性

極性表面積
1 Ų
水素結合供与体数
0
水素結合受容体数
8
回転可能結合数
0
重原子数
22

物理化学的性質

融点
171 · 171-172°C
貯蔵温度
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
CAS データベース
131880 · 131880-16-5(CAS DataBase Reference)

化学的性質

化学的特性White to yellow solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)

安全データ

wgk
3
hs_code
29349990
hazard_code
Xi
safety_code
24/25
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用5-(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.

サプライヤー94 社

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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