1-(2-클로로-6-플루오로벤질)피페라진

1-((2-Chloro-6-fluorophenyl)methyl)piperazine

HCID 735737CAS 215655-20-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Fc1cccc(Cl)c1CN1CCNCC1
InChIKey: PBJVZHBDDDMHIT-UHFFFAOYSA-N
분자식: C11H14ClFN2
평균 분자량: 228.69 g/mol
단동위원소 질량: 228.08295435

이름 및 식별자

우선 이름: 1-((2-Chloro-6-fluorophenyl)methyl)piperazine
IUPAC: 1-[(2-chloro-6-fluorophenyl)methyl]piperazine
현지명: 1-(2-클로로-6-플루오로벤질)피페라진
영어명: 1-(2-Chloro-6-fluorobenzyl)piperazine
분자식: C11H14ClFN2
분자량: 228.69

이름 및 동의어

1-[(2-chloro-6-fluorophenyl)methyl]piperazine1-((2-Chloro-6-fluorophenyl)methyl)piperazineRefChem:418296624-892-11-(2-Chloro-6-fluorobenzyl)piperazine215655-20-2Piperazine,1-[(2-chloro-6-fluorophenyl)methyl]-MFCD008166051-(2-chloro-6-fluoro-benzyl)piperazine1-(2-Chloro-6-fluoro-benzyl)-piperazineCHEMBL20112721-[(2-chloro-6-fluoro-phenyl)methyl]piperazine

이름 더 보기

1-(2-클로로-6-플루오로벤질)피페라진AKOS B020144BUTTPARK 33\08-78ART-CHEM-BB B0201441-(2-Chloro-6-fluoro-benzyl)-piper1-(2-Chloro-6-fluorobenzyl)piperazine97%1-(2-Chloro-6-fluorobenzyl)piperazine 97%1-(2-CHLORO-6-FLUORO-BENZYL)-PIPERAZINE >98%1-[(2-bromo-6-fluorophenyl)methyl]piperazine

[(2-chloro-6-fluorophenyl)methyl]piperazineSDCCGMLS-0065833.P001SCHEMBL209940SCHEMBL9180641-(2-CHLORO-6-FLUOROBENZYL) PIPERAZINE HCLSCHEMBL27606930DTXSID80352817PBJVZHBDDDMHIT-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 215655-20-2
PubChem CID: 735737
DTXSID: DTXSID80352817
ChEMBL: CHEMBL2011272
EC Number: 624-892-1
Nikkaji: J2.315.341F

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 197

물리화학적 성질

끓는 점: 145 °C · 145 °C
밀도: 1.202 g/mL · 1.202 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5470(lit.)
인화점: 230 °F · >230 °F
산도 계수 (pKa): 9.01 · 9.01±0.10(Predicted)
InChI: 1S/C11H14ClFN2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2
InChIKey: PBJVZHBDDDMHIT-UHFFFAOYSA-N
SMILES: Fc1cccc(Cl)c1CN2CCNCC2

화학적 성질

Colorless to light yellow liquid or solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (13.6%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.