에틸(2E)-클로로[(4-클로로페닐)하이드라조노]아세트산

Ethyl 2-chloro-2-(2-(4-chlorophenyl)hydrazono)acetate

HCID 2761323

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 27143-09-5
표준 SMILES: CCOC(=O)C(Cl)=NNc1ccc(Cl)cc1
InChIKey: DDJOIKUARWSPEQ-UHFFFAOYSA-N
분자식: C10H10Cl2N2O2
평균 분자량: 261.1 g/mol
단동위원소 질량: 260.01193292

이름 및 식별자

우선 이름: Ethyl 2-chloro-2-(2-(4-chlorophenyl)hydrazono)acetate
IUPAC: ethyl 2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate
현지명: 에틸(2E)-클로로[(4-클로로페닐)하이드라조노]아세트산
영어명: Ethyl (2E)-chloro[(4-chlorophenyl)hydrazono]acetate
분자식: C10H10Cl2N2O2
분자량: 261.1

이름 및 동의어

27143-09-5ethyl chloro[(4-chlorophenyl)hydrazono]acetateEthyl 2-chloro-2-(2-(4-chlorophenyl)hydrazono)acetateethyl 2-chloro-2-(2-(4-chlorophenyl)hydrazineylidene)acetateAceticacid, 2-chloro-2-[2-(4-chlorophenyl)hydrazinylidene]-, ethyl esterethyl 2-chloro-2-[2-(4-chlorophenyl)hydrazin-1-ylidene]acetateApixaban Impurity Rethyl 2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetateorb3181539SCHEMBL3560757DTXSID80375703DDJOIKUARWSPEQ-UHFFFAOYSA-N

이름 더 보기

에틸(2E)-클로로[(4-클로로페닐)하이드라조노]아세트산Apixaban-10Apixaban Impurity S1Impurity of apixaban374Apixaban Related Compound 7Apixaban related impurities 6Ethyl 2-chloro-2-[2-(4-chlorophenyl)hydrazono]-Ethyl (2E)-chloro[(4-chlorophenyl)hydrazono]acetateethyl (2E)-chloro[(4-chlorophenyl)hydrazono]ethanoateEthyl (4-chlorophenylhydrazono)chloromethylcarboxylate

Acetic acid, 2-chloro-2-[2-(4-chlorophenyl)hydrazinylidene]-, ethyl esterAKOS030240171ethyl 2-chloro[(4-chlorophenyl)hydrazono]acetateEthyl chloro[2-(4-chlorophenyl)hydrazono]acetateethyl 2-chloro-2-(4-chlorophenylhydrazono)acetateethyl 2-chloro[(4-chlorophenyl) hydrazono]acetateethyl 2-chloro-2-[(4-chlorophenyl)hydrazono]acetateEthyl chloro[2-(4-chlorophenyl)hydrazinylidene]acetate

데이터베이스 식별자

CAS: 27143-09-5
PubChem CID: 2761323
DTXSID: DTXSID80375703

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 50.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 16
형식 전하: 0
복잡도: 264

물리화학적 성질

녹는점: 150 °C · 150 °C
끓는 점: 337.1 · 337.1±44.0 °C(Predicted)
밀도: 1.33 · 1.33±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer, Under inert atmosphere
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 11.04 · 11.04±0.10(Predicted)
색상: 연한 노란색에서 밝은 노란색까지

안전 및 규제

안전 데이터

HS 번호: 2915390090

화학 및 산업

응용 분야

용도(Z)-Ethyl 2-chloro-2-(2-(4-chlorophenyl)hydrazono)acetate is a reagent used in the preparation of pyrimidine and pyrimidinone-based compounds for their use as antimicrobials.