1-フルオロ-2,4,6-トリメチルピリジニウムトリフルオロメタンスルホナート

1-Fluoro-2,4,6-trimethylpyridinium Trifluoromethanesulfonate [Fluorinating Reagent]

HCID 2724575

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 107264-00-6
標準SMILES: Cc1cc(C)[n+](F)c(C)c1.O=S(=O)([O-])C(F)(F)F
InChIKey: PRIGFEJKMMRJSF-UHFFFAOYSA-M
分子式: C9H11F4NO3S
平均分子量: 289.25 g/mol
単同位体質量: 289.03957709

名称と識別子

優先名称: 1-Fluoro-2,4,6-trimethylpyridinium Trifluoromethanesulfonate [Fluorinating Reagent]
IUPAC: 1-fluoro-2,4,6-trimethylpyridin-1-ium;trifluoromethanesulfonate
現地名: 1-フルオロ-2,4,6-トリメチルピリジニウムトリフルオロメタンスルホナート
英語名: 1-FLUORO-2,4,6-TRIMETHYLPYRIDINIUM TRIFLATE
分子式: C9H11F4NO3S
分子量: 289.25

名称と別名

1-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate [fluorinating reagent]1-Fluoro-2,4,6-trimethylpyridinium Trifluoromethanesulfonate (Fluorinating Reagent)RefChem:432754672-581-4107264-00-61-Fluoro-2,4,6-trimethylpyridinium triflate1-Fluoro-2,4,6-trimethylpyridin-1-ium trifluoromethanesulfonateN-Fluoro-2,4,6-trimethylpyridinium triflateMFCD000675251-fluoro-2,4,6-trimethylpyridin-1-ium;trifluoromethanesulfonate1-Fluoro-2,4,6-trimethylpyridinium Trifluoromethanesulfonate1-Fluoro-sym-collidinium triflate

名称をさらに表示

1-フルオロ-2,4,6-トリメチルピリジニウムトリフルオロメタンスルホナート1-フルオロ-2,4,6-トリメチルピリジニウムトリフラートエフプラスT300トリフルオロメタンスルホン酸N-フルオロ-2,4,6-トリメチルピリジニウムFlorinate FP-T 300FP-T 300TIMTEC-BB SBB002990F-PLUS T300 (FP-T300)Onoda Florinate FP-T 300

N-Fluoro-2,4,6-trimethylpyridinium trifluoromethanesulphonate1-fluoro-2,4,6-trimethylpyridine, trifluoromethanesulfonic acid1-fluoro-2SCHEMBL64156C9H11F4NO3SDTXSID40369163SBB002990AKOS024282417

データベース識別子

CAS: 107264-00-6
PubChem CID: 2724575
DTXSID: DTXSID40369163
EC Number: 672-581-4

物性

構造計算による物性

極性表面積: 69.5 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 0
重原子数: 18
形式電荷: 0
複雑度: 248

物理化学的性質

融点: 162 · 162-165 °C(lit.)
比重(密度): 1.3855 · 1.3855 (estimate)
貯蔵温度: 2 · 2-8°C
外見: 粉
色: 白色～淡黄色
BRN: 4777118 · 4777118
InChI: InChI=1S/C8H11FN.CHF3O3S/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)8(5,6)7/h4-5H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey: PRIGFEJKMMRJSF-UHFFFAOYSA-M
SMILES: C(F)(F)(F)S([O-])(=O)=O.[N+]1(F)C(C)=CC(C)=CC=1C
CAS データベース: 107264 · 107264-00-6(CAS DataBase Reference)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1C (100%)

安全データ

wgk: 3
tsca: No
ridadr: UN 3261 8/PG 2
hs_code: 29333990
risk_code: 34
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-27-28-36/37/39-45-36
hazard_class: 8
packing_group: III
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 1 件

使用N-fluoropyridinium triflate salts offer a tunable fluorinating system; electronic nature of the substituents on the ring dictates the potency and selectivity of the reagent. Efficient fluorination of various aromatics, carbanions, vinyl esters, alkyls, and enamines.