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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 796563생성일: 2026년 10월 26일

1-(4-Fluorobenzyl)piperazine

AKOS B004011 · AKOS BBS-00003644 · BUTTPARK 36\08-54 · ART-CHEM-BB B004011 · TIMTEC-BB SBB003604 · 1-(4-FLUOROBENZYL)PIPERAZINE · 1-(4-Fluorobenzyl)piperazine97% · 1-(4-Fluorobenzyl)piperazine 97%

https://huagongshe.com/ko/chemical/796563

1-(4-Fluorobenzyl)piperazine 분자 구조식

식별자 및 물리적 특성

CAS No.70931-28-1
분자식C11H15FN2
평균 분자량194.25 g/mol
단동위원소 질량194.1219267 g/mol
SMILESFc1ccc(CN2CCNCC2)cc1
InChIKeyOOSZCNKVJAVHJI-UHFFFAOYSA-N
PubChem CID796563
ChEMBLCHEMBL4216642
EC No.627-365-4
DTXSIDDTXSID90355314

화학 및 물리적 성질

XLogP1.2
극성 표면적15.3
수소 결합 공여자 수1
수소 결합 수용자 수3
회전 가능 결합 수2
무거운 원자 수14
형식 전하0
복잡도161
의약품DEA NFLIS-Drug Category -> Piperazines (Stimulant)
녹는점64 °C
끓는 점112-114°C 2mm
밀도1.103
굴절률1.5255-1.5275
인화점122℃
저장 조건2-8°C, protect from light
pKa(산도 계수)9.13±0.10(Predicted)
물리적 상태solid
InChI1S/C11H15FN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKeyOOSZCNKVJAVHJI-UHFFFAOYSA-N
SMILESFc1ccc(CN2CCNCC2)cc1

화학적 성질

clear yellow liquid after melting

안전 및 규제

GHS 분류DangerH302 (84%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (84%)
수질 위해 등급(WGK)2
운송 번호(UN)3263
관세 코드29335990
위험 문구(R)22-36/37/38-20/21/22
위험 표시Xn,Xi
안전 문구(S)26-36-36/37/39
위험 등급IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류11 - Combustible Solids

용도

용도

Precursor involved in the synthesis of a variety of biologically active molecules including:• ;Chemokine antagonists1• ;Pyrido[1,2-a]benzimidazoles with cytotoxic and antiplasmodial activity2• ;Pyrimidine derivatives as cholinesterase and Aβ-aggregation inhibitors3• ;Chlorokojic acid derivatives with antibacterial and antiviral activities4• ;EGFR and Aurora A kinase inhibitors5• ;Neurokinin-2 receptor antagonists6