에틸4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATE

Ethyl 4,6-dichloropyridazine-3-carboxylate

HCID 53428795

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 679406-03-2
표준 SMILES: CCOC(=O)c1nnc(Cl)cc1Cl
InChIKey: MOWPWJUYSRHMHS-UHFFFAOYSA-N
분자식: C7H6Cl2N2O2
평균 분자량: 221.04 g/mol
단동위원소 질량: 219.98063279

이름 및 식별자

우선 이름: Ethyl 4,6-dichloropyridazine-3-carboxylate
IUPAC: ethyl 4,6-dichloropyridazine-3-carboxylate
현지명: 에틸4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATE
영어명: Ethyl 4,6-dichloropyrridazine-3-carboxylate
분자식: C7H6Cl2N2O2
분자량: 221.04

이름 및 동의어

ETHYL 4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATE679406-03-2DTXSID40699912RefChem:343607DTXCID60650661MFCD115215703-Pyridazinecarboxylic acid, 4,6-dichloro-, ethyl esterEthyl4,6-dichloropyridazine-3-carboxylateSCHEMBL40197724,6-dichloro-pyridazine-3-carboxylic acid ethyl ester4,6-dichloropyridazine-3-carboxylic acid ethyl esterMOWPW

이름 더 보기

에틸4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATEEOS-615104,6-DICHLOROPYRIDAZINE-3-CARBOXYLATEEthyl 4,6-dichloro-3-pyridazinecarboxylateEthyl 4,6-dichloropyrridazine-3-carboxylate4,6-dichloroazine-3-carboxylic acidethyl ester4,6-Dichloropyrazine-3-carboxylic acid ethyl ester

7VD93H6Z2FSCHEMBL29739916AKOS015909522CS-W022681AC-37433DS-15310Ethyl 46-dichloropyridazine-3-carboxylateSY102386

데이터베이스 식별자

CAS: 679406-03-2
PubChem CID: 53428795
DTXSID: DTXSID40699912
UNII: 7VD93H6Z2F
EC Number: 879-758-7

물성

구조 계산 물성

XLogP: 2
극성 표면적: 52.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 191

물리화학적 성질

끓는 점: 353.4 · 353.4±37.0 °C(Predicted)
밀도: 1.433 · 1.433±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 아세토니트릴(약간 용해됨), 클로로포름(가용성), 메탄올(약간 용해됨)
산도 계수 (pKa): -2.18 · -2.18±0.10(Predicted)
물리적 상태: 저융점 고체
색상: 갈색에서 매우 어두운 갈색까지
InChI: InChI=1S/C7H6Cl2N2O2/c1-2-13-7(12)6-4(8)3-5(9)10-11-6/h3H,2H2,1H3
InChIKey: MOWPWJUYSRHMHS-UHFFFAOYSA-N
SMILES: C1(C(OCC)=O)=NN=C(Cl)C=C1Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.