1-[2-플루오로-4-(메틸술포닐)페닐]피페라진

1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine

HCID 2782730

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 845616-10-6
표준 SMILES: CS(=O)(=O)c1ccc(N2CCNCC2)c(F)c1
InChIKey: CMYAOPCJWBOQNZ-UHFFFAOYSA-N
분자식: C11H15FN2O2S
평균 분자량: 258.31 g/mol
단동위원소 질량: 258.08382694

이름 및 식별자

우선 이름: 1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine
IUPAC: 1-(2-fluoro-4-methylsulfonylphenyl)piperazine
현지명: 1-[2-플루오로-4-(메틸술포닐)페닐]피페라진
영어명: 1-[2-FLUORO-4-(METHYLSULFONYL)PHENYL]PIPERAZINE
분자식: C11H15FN2O2S
분자량: 258.31

이름 및 동의어

845616-10-61-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine1-(2-Fluoro-4-(methylsulfonyl)phenyl)piperazineDTXSID50382247RefChem:223447DTXCID30333272674-387-51-(2-fluoro-4-methylsulfonylphenyl)piperazine1-[2-fluoro-4-(methylsulphonyl)phenyl]piperazineMFCD03648602Piperazine,1-[2-fluoro-4-(methylsulfonyl)phenyl]-2-Fluoro-4-(piperazin-1-yl)phenyl methyl sulphone

이름 더 보기

1-[2-플루오로-4-(메틸술포닐)페닐]피페라진1-[2-Fluoro-4-(methylsulphonyl)phenyl]piperazine 95+%1-(2-Fluoro-4-(methylsulfonyl)phenyl)piperazine - [F92731]

MixCom4_000282Peakdale2_000541SCHEMBL2573793CMYAOPCJWBOQNZ-UHFFFAOYSA-NSBB102033AKOS015854344IDI1_002026SY272616

데이터베이스 식별자

CAS: 845616-10-6
PubChem CID: 2782730
DTXSID: DTXSID50382247
EC Number: 674-387-5

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 57.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 349

물리화학적 성질

녹는점: 115 ℃ · 115℃
끓는 점: 459.5 · 459.5±45.0 °C(Predicted)
밀도: 1.267 · 1.267±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
물리적 상태: 고체
산도 계수 (pKa): 8.65 · 8.65±0.10(Predicted)
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.