4-에틸-2,3-디옥소-1-피페라진카르보닐클로라이드

4-Ethyl-2,3-dioxopiperazinecarbonyl chloride

HCID 108813

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59703-00-3
표준 SMILES: CCN1CCN(C(=O)Cl)C(=O)C1=O
InChIKey: SXVBQOZRZIUHKU-UHFFFAOYSA-N
분자식: C7H9ClN2O3
평균 분자량: 204.61 g/mol
단동위원소 질량: 204.03016983

이름 및 식별자

우선 이름: 4-Ethyl-2,3-dioxopiperazinecarbonyl chloride
IUPAC: 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride
현지명: 4-에틸-2,3-디옥소-1-피페라진카르보닐클로라이드
영어명: 4-Ethyl-2,3-dioxo-1-piperazine carbonyl chloride
분자식: C7H9ClN2O3
분자량: 204.61

이름 및 동의어

59703-00-34-Ethyl-2,3-dioxopiperazine-1-carbonyl chloride4-Ethyl-2,3-dioxo-1-piperazinecarbonyl ChlorideAO742DC75C1-Piperazinecarbonyl chloride, 4-ethyl-2,3-dioxo-EINECS 261-867-04-Ethyl-2,3-dioxopiperazinecarbonyl chlorideDTXSID60208424RefChem:522741DTXCID80130915261-867-04-Ethyl-2,3-dioxo-1-piperazinecarbonylchloride

이름 더 보기

4-에틸-2,3-디옥소-1-피페라진카르보닐클로라이드edpc4-Ethyl-2,3-dioxo-1-Cefoperazone Impurity 50Trimethylsilyl cyanide(TMSC)4-Ethyl-2,3-dioxo-1-piperazine-2,3-dioxopiperazine-1-carbonyLDioxo piperazine carbonyl chloride4-Ethyl-2,3-dioxopiperazine chloride4-ethyl-2,3-dioxopiperazin-1-carbonylchlorid

4-Ethyl-2,3-dioxo-1-piperazine carbonyl chlorideMFCD00067054Cefoperazone Impurity 22,3-Dioxo-4-ethylpiperazine-1-carbonyl chloride4-ethyl-2,3-dioxo-piperazine-1-carbonyl chloride4-Ethyl-2,3-dioxopiperazine-1-carbonylChloride1-chlorocarbonyl-4-ethyl-2,3-dioxopiperazineCefoperazone Impurity 10

데이터베이스 식별자

CAS: 59703-00-3
PubChem CID: 108813
DTXSID: DTXSID60208424
UNII: AO742DC75C
EC Number: 261-867-0
Nikkaji: J27.881E

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 57.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 266

물리화학적 성질

녹는점: 100 °C · 100 °C
끓는 점: 292.9 · 292.9±23.0 °C(Predicted)
밀도: 1.408 · 1.408±0.06 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 25℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(에 용해됨), DMSO(약간 용해됨)
물리적 상태: 가루
산도 계수 (pKa): -1.81 · -1.81±0.20(Predicted)
색상: 하얀색
수용성: 물에서 분해되다
안정성: 수분에 민감한
InChI: 1S/C7H9ClN2O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3
InChIKey: SXVBQOZRZIUHKU-UHFFFAOYSA-N
SMILES: CCN1CCN(C(Cl)=O)C(=O)C1=O
LogP: -1.48 · -1.48

화학적 성질

White to tan powder, partially agglomerated

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 27.3% (6 of 22) of reports.

Danger

H314 (72.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 22 reports by companies from 4 notifications to the ECHA C&L Inventory.