2-플루오로-1-메틸피리디늄톨루엔-4-설포네이트

2-Fluoro-1-methylpyridinium p-toluenesulfonate

HCID 171631CAS 58086-67-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[n+]1ccccc1F.Cc1ccc(S(=O)(=O)[O-])cc1
InChIKey: HQWDKLAIDBOLFE-UHFFFAOYSA-M
분자식: C13H14FNO3S
평균 분자량: 283.32 g/mol
단동위원소 질량: 283.06784253

개요

used for determination of urea in blood; RN given refers to tosylate salt; RN for parent cpd not avail 11/90

이름 및 식별자

우선 이름: 2-Fluoro-1-methylpyridinium p-toluenesulfonate
IUPAC: 2-fluoro-1-methylpyridin-1-ium;4-methylbenzenesulfonate
현지명: 2-플루오로-1-메틸피리디늄톨루엔-4-설포네이트
영어명: 2-FLUORO-1-METHYLPYRIDINIUM P-TOLUENESULFONATE
분자식: C13H14FNO3S
분자량: 283.32

이름 및 동의어

58086-67-22-Fluoro-1-methylpyridinium p-toluenesulfonate2-Fluoro-1-methylpyridiniumDTXSID00206808RefChem:472157DTXCID90129299261-108-32-Fluoro-1-methylpyridin-1-ium 4-methylbenzenesulfonateMFCD000119832-Fluoro-1-methylpyridinium tosylate2-Fluoro-1-methylpyridin-1-ium4-methylbenzenesulfonateSCHEMBL103421

이름 더 보기

2-플루오로-1-메틸피리디늄톨루엔-4-설포네이트2-플루오로-1-메틸피리디늄톨루엔-4-설포네이트(2-FLUORO-1-METHYLPYRIDINIUMTOLUEN...1-fluoro-4-methylpyridin-1-ium2-fluoro-1-methylpyridin-1-ium1 METHYL-2-FLUOROPYRIDINIUM TOSYLATE2-Fluoro-1-methylpyridinium·tosylate2-FLUORO-1-METHYLPYRIDINIUM 4-TOLUENESULFONATE1-Methyl-2-fluoropyridinium·p-toluenesulfonate2-FLUORO-1-METHYLPYRIDINIUM TOLUENE-4-SULFONATE

2-fluoro-1-methylpyridin-1-ium;4-methylbenzenesulfonate2-fluoro-1-methylpyridin-1-ium 4-methylbenzene-1-sulfonate2-Fluoro-1-methylpyridinium p-Toluenesulphonate (Technical Grade)2-Fluoro-1-methylpyridinium p-toluenesulphonateC13H14FNO3S2-Fluoro-1-methylpyridinium Tosylate; 2-Fluoro-N-methylpyridinium TosylateEINECS 261-108-32-Fluoro-1-methylpyridinium toluene-p-sulphonate

데이터베이스 식별자

CAS: 58086-67-2
PubChem CID: 171631
DTXSID: DTXSID00206808
EC Number: 261-108-3

물성

구조 계산 물성

극성 표면적: 69.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 19
형식 전하: 0
복잡도: 268

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Organic Compounds

Physical DescriptionWhite or cream-colored crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 130 · 130-134 °C(lit.)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 아세토니트릴(적게), 메탄올(약간)에 용해됨
물리적 상태: 고체
색상: 흰색에서 황백색까지
수용성: 물(가수분해), DMSO, 디클로로메탄 및 아세토니트릴에 용해됩니다.
BRN: 4345357 · 4345357
안정성: 수분에 민감한
주요 응용: 펩타이드 합성
InChI: InChI=1S/C7H8O3S.C6H7FN/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-5H,1H3,(H,8,9,10);2-5H,1H3/q;+1/p-1
InChIKey: HQWDKLAIDBOLFE-UHFFFAOYSA-M
SMILES: C1(S(=O)([O-])=O)C=CC(C)=CC=1.C1(F)C=CC=C[N+]=1C

화학적 성질

White to tan crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.