CAS 56392-83-7 3-Chloro-6-(1-piperazinyl)pyridazine (HCID 5294926)

基本情報

CAS: 56392-83-7
標準SMILES: Clc1ccc(N2CCNCC2)nn1
InChIKey: DXPPQFXYIZTQCV-UHFFFAOYSA-N
分子式: C8H11ClN4
平均分子量: 198.65 g/mol
単同位体質量: 198.0672241

名称と識別子

優先名称: 3-Chloro-6-(1-piperazinyl)pyridazine
IUPAC: 3-chloro-6-piperazin-1-ylpyridazine
英語名: 1-(6-Chloropyridazino-3-yl)piperazine
分子式: C8H11ClN4
分子量: 198.65

名称と別名

56392-83-73-chloro-6-(1-piperazinyl)pyridazineRefChem:500236664-196-53-chloro-6-(piperazin-1-yl)pyridazine3-Chloro-6-piperazinopyridazine3-chloro-6-piperazin-1-ylpyridazine1-(6-Chloropyridazino-3-yl)piperazineMFCD05858981CHEMBL1270236-chloro-3-piperazinylpyridazine3-Chloro-6-piperazin-1-yl-pyridazine

名称をさらに表示

3-Chloro-6-(piperazin-1-yl)3-Chloro-6-pyridazinylpyridazine3-CHLORO-6-PIPERAZIN-1-YLPYRIDAZINE DIHYDROCHLORIDE1-(6-Chloropyridazino-3-yl)piperazine ISO 9001：2015 REACH

Pyridazine, 3-chloro-6-(1-piperazinyl)-MLS000729271SCHEMBL181761SCHEMBL1770262DTXSID40415391DXPPQFXYIZTQCV-UHFFFAOYSA-NHMS2730M04BDBM50473425

データベース識別子

CAS: 56392-83-7
PubChem CID: 5294926
DTXSID: DTXSID40415391
ChEMBL: CHEMBL127023
EC Number: 664-196-5
Nikkaji: J1.678.215G

物性

構造計算による物性

XLogP: 0.6
極性表面積: 41.1 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 101 · 101-103 °C
比重(密度): 1.272 · 1.272
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
InChI: InChI=1S/C8H11ClN4/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2
InChIKey: DXPPQFXYIZTQCV-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(N2CCNCC2)C=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.