Methyl 6-chloropyridazine-3-carboxylate

HCID 12379801

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 65202-50-8
표준 SMILES: COC(=O)c1ccc(Cl)nn1
InChIKey: FPKXYXKLOWAIOX-UHFFFAOYSA-N
분자식: C6H5ClN2O2
평균 분자량: 172.57 g/mol
단동위원소 질량: 172.00395508

이름 및 식별자

우선 이름: Methyl 6-chloropyridazine-3-carboxylate
IUPAC: methyl 6-chloropyridazine-3-carboxylate
영어명: Methyl 6-chloropyridazine-3-carboxylate
분자식: C6H5ClN2O2
분자량: 172.57

이름 및 동의어

methyl 6-chloropyridazine-3-carboxylate65202-50-8DTXSID10495387RefChem:356299DTXCID10446197691-623-26-chloropyridazine-3-carboxylic acid methyl estermethyl 3-chloropyridazine-6-carboxylateMFCD086948766-chloro-pyridazine-3-carboxylic acid methyl estermethyl 6-chloro-3-pyridazinecarboxylate3-Pyridazinecarboxylic acid, 6-chloro-, methyl ester

이름 더 보기

KML-38CML-037AKOS 91997TERT-BUTYL 4-(2-AM...Methyl 3-chloropyridazine...6-Chloro-3-(methoxycarbonyl)pyridazine

SCHEMBL474101orb1908268SCHEMBL29552833TNU0728FPKXYXKLOWAIOX-UHFFFAOYSA-NSBB053957AKOS000265217methyl 6-chloropyridazin-3-carboxylate

데이터베이스 식별자

CAS: 65202-50-8
PubChem CID: 12379801
DTXSID: DTXSID10495387
EC Number: 691-623-2

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 52.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 154

물리화학적 성질

녹는점: 145 °C · 145 °C(Solv: ligroine (8032-32-4))
끓는 점: 310.9 · 310.9±22.0 °C(Predicted)
밀도: 1.372 · 1.372±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 가루
산도 계수 (pKa): -1.06 · -1.06±0.10(Predicted)
색상: 회색
InChI: InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-3-5(7)9-8-4/h2-3H,1H3
InChIKey: FPKXYXKLOWAIOX-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NN=C(Cl)C=C1

화학적 성질

Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.