(4-클로로페닐)(PIPERAZIN-1-YL)메탄온

1-(4-Chlorobenzoyl)piperazine

HCID 4101484CAS 54042-47-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(c1ccc(Cl)cc1)N1CCNCC1
InChIKey: IHSZLKAMJQHQOS-UHFFFAOYSA-N
분자식: C11H13ClN2O
평균 분자량: 224.68 g/mol
단동위원소 질량: 224.0716407

이름 및 식별자

우선 이름: 1-(4-Chlorobenzoyl)piperazine
IUPAC: (4-chlorophenyl)-piperazin-1-ylmethanone
현지명: (4-클로로페닐)(PIPERAZIN-1-YL)메탄온
영어명: (4-Chlorophenyl)(piperazin-1-yl) methanone
분자식: C11H13ClN2O
분자량: 224.69

이름 및 동의어

1-(4-chlorobenzoyl)piperazineRefChem:425180827-755-654042-47-6(4-CHLOROPHENYL)(PIPERAZIN-1-YL)METHANONE(4-chlorophenyl)-piperazin-1-ylmethanone(4-CHLOROPHENYL)(PIPERAZIN-1-YL) METHANONEMFCD01050442(4-chlorophenyl)-piperazin-1-yl-methanoneOprea1_7433961-(p-chlorobenzoyl) piperazineSCHEMBL1256167

이름 더 보기

(4-클로로페닐)(PIPERAZIN-1-YL)메탄온Methanone, (4-chlorophenyl)-1-piperazinyl-

SCHEMBL2092237SCHEMBL16598993DTXSID70399332IHSZLKAMJQHQOS-UHFFFAOYSA-NGS3250STL183438AKOS000130679BAS 06481308

데이터베이스 식별자

CAS: 54042-47-6
PubChem CID: 4101484
DTXSID: DTXSID70399332
EC Number: 827-755-6
Nikkaji: J1.298.399I

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 221

물리화학적 성질

녹는점: 200 °C · 200 °C
끓는 점: 384 · 384.0±37.0 °C(Predicted)
밀도: 1.231 · 1.231±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 8.32 · 8.32±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.