Ethyl 2-(3-Chloro-2-pyridinyl)-5-oxo-3-pyrazolidinecarboxylate

HCID 22280352CAS 500011-88-1
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기본 정보

표준 SMILES
CCOC(=O)C1CC(=O)NN1c1ncccc1Cl
InChIKey
GWGIBEMOOVJUPI-UHFFFAOYSA-N
분자식
C11H12ClN3O3
평균 분자량
269.68 g/mol
단동위원소 질량
269.05671892

이름 및 식별자

우선 이름
Ethyl 2-(3-Chloro-2-pyridinyl)-5-oxo-3-pyrazolidinecarboxylate
IUPAC
ethyl 2-(3-chloro-2-pyridinyl)-5-oxopyrazolidine-3-carboxylate
영어명
ETHYL 1-(3-CHLORO-2-PYRIDINYL)-3-PYRAZOLIDINONE-5-CARBOXYLATE
분자식
C11H12ClN3O3
분자량
269.68

이름 및 동의어

500011-88-1ethyl 2-(3-chloro-2-pyridinyl)-5-oxo-3-pyrazolidinecarboxylateDTXSID201179032RefChem:593801DTXCID301610382ethyl 2-(3-chloropyridin-2-yl)-5-oxopyrazolidine-3-carboxylateethyl 1-(3-chloro-2-pyridinyl)-3-pyrazolidinone-5-carboxylateMFCD09955582ethyl 2-(3-chloro-2-pyridyl)-5-oxopyrazolidine-3-carboxylateSCHEMBL951112SCHEMBL13421436SCHEMBL29524000
이름 더 보기
2-(3-Chloro-2-pyridinyl)-5-oxo-3-pyrazolidinecarboxylic acid ethyl ester3-Pyrazolidinecarboxylic acid, 2-(3-chloro-2-pyridinyl)-5-oxo-, ethyl ester2-(3-chloro-2-pyridyl)-5-oxy-3-pyridineazolealkanecarboxylic acidethyl ester
SCHEMBL29661865SCHEMBL29661868Ethyl 1-(3-chloro-2-pyridinyl)-3-pyrazolidone-5-carboxylateMFCD09955581AKOS033199655BS-45729SY188847DB-243486

데이터베이스 식별자

CAS
500011-88-1
PubChem CID
22280352
DTXSID
DTXSID201179032
EC Number
610-490-3
Nikkaji
J3.618.163J

물성

구조 계산 물성

XLogP
1.5
극성 표면적
71.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
18

물리화학적 성질

녹는점
132 · 132-134 °C
밀도
1.377 · 1.377±0.06 g/cm3(Predicted)
증기압
0 · 0-0Pa at 20-50℃
물리적 상태
Solid:crystalline
산도 계수 (pKa)
10.77 · 10.77±0.40(Predicted)
InChI
InChI=1S/C11H12ClN3O3/c1-2-18-11(17)8-6-9(16)14-15(8)10-7(12)4-3-5-13-10/h3-5,8H,2,6H2,1H3,(H,14,16)

안전 및 규제

GHS 분류

GHS Classification · 3건

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, 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.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 03-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30952

Hazard Classes and CategoriesAquatic Chronic 2 (100%)

안전 데이터

tsca
TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing Information3-Pyrazolidinecarboxylic acid, 2-(3-chloro-2-pyridinyl)-5-oxo-, ethyl ester: ACTIVE

상·하류 제품 정보

공급사32 곳

南京凯美西化工有限公司02558748998 18951874644 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]

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