1-플루오로-2,4,6-트리메틸피리디늄 트라이플레이트

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

HCID 2724575

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 107264-00-6
표준 SMILES: Cc1cc(C)[n+](F)c(C)c1.O=S(=O)([O-])C(F)(F)F
InChIKey: PRIGFEJKMMRJSF-UHFFFAOYSA-M
분자식: C9H11F4NO3S
평균 분자량: 289.25 g/mol
단동위원소 질량: 289.03957709

이름 및 식별자

우선 이름: 1-Fluoro-2,4,6-trimethylpyridinium Trifluoromethanesulfonate [Fluorinating Reagent]
IUPAC: 1-fluoro-2,4,6-trimethylpyridin-1-ium;trifluoromethanesulfonate
현지명: 1-플루오로-2,4,6-트리메틸피리디늄 트라이플레이트
영어명: 1-FLUORO-2,4,6-TRIMETHYLPYRIDINIUM TRIFLATE
분자식: C9H11F4NO3S
분자량: 289.25

이름 및 동의어

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

이름 더 보기

1-플루오로-2,4,6-트리메틸피리디늄트라이플레이트1-플루오로-2,4,6-트리메틸피리디늄 트리플레이트Florinate 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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 69.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 0
무거운 원자 수: 18
형식 전하: 0
복잡도: 248

물리화학적 성질

녹는점: 162 · 162-165 °C(lit.)
밀도: 1.3855 · 1.3855 (estimate)
저장 조건: 2 · 2-8°C
물리적 상태: 가루
색상: 흰색에서 연한 노란색
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

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

안전 데이터

wgk: 3
tsca: No
ridadr: UN 3261 8/PG 2
HS 번호: 29333990
risk_code: 34
hazard_code: Xi,C
safety_code: 26-27-28-36/37/39-45-36
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도N-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.