6-(4-クロロフェニル)-4,5-ジヒドロ-3(2H)-ピリダジノン塩化物

6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One

HCID 120990

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1079-73-8
標準SMILES: O=C1CCC(c2ccc(Cl)cc2)=NN1
InChIKey: AZDWIMWFLAIPIR-UHFFFAOYSA-N
分子式: C10H9ClN2O
平均分子量: 208.64 g/mol
単同位体質量: 208.04034059

概要

6-(4-Chlorophenyl)-2,3,4,5-tetrahydropyridazin-3-one is an organochlorine compound.

名称と識別子

優先名称: 6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
IUPAC: 3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one
現地名: 6-(4-クロロフェニル)-4,5-ジヒドロ-3(2H)-ピリダジノン塩化物
英語名: 2,3,4,5-Tetrahydro-6(4-chlorophenyl)-3(2H)-pyridazinone
分子式: C10H9ClN2O
分子量: 208.64

名称と別名

6-(4-chlorophenyl)-4,5-dihydropyridazin-3(2H)-oneRefChem:539396108-796-21079-73-86-(4-chlorophenyl)-2,3,4,5-tetrahydropyridazin-3-one3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-oneMFCD002763813(2H)-Pyridazinone, 4,5-dihydro-6-(4-chlorophenyl)-2,3,4,5-TETRAHYDRO-6(4-CHLOROPHENYL)-3(2H)-PYRIDAZINONE6-(4-chlorophenyl)-4,5-dihydro-3(2H)-pyridazinoneBRN 01633823-p-Chlorophenylpyridazin-6-one

名称をさらに表示

6-(4-クロロフェニル)-4,5-ジヒドロ-3(2H)-ピリダジノン塩化物6-(4-クロロフェニル)-4,5-ジヒドロ-3(2H)-ピリダジノンCompound Fr13155TIMTEC-BB SBB0034623(2H)-Pyridazinone, 6-(4-chlorophenyl)-4,5-dihydro-6-(4-Chlorophenyl)-2,3,4,5-tetrahydro-3-pyridazinoneJRH-07003, 6-(4-Chlorophenyl)-4,5-dihydropyridazin-3(2H)-one, 97%

6-(4-chlorophenyl)-2,4,5-trihydropyridazin-3-one6-(4-chlorophenyl)4,5-dihydropyridazinoneMaybridge1_0011735-24-03-00251 (Beilstein Handbook Reference)6-(4-Chloro-phenyl)-4,5-dihydro-2H-pyridazin-3-oneorb3170035SCHEMBL8302890HMS544N07

データベース識別子

CAS: 1079-73-8
PubChem CID: 120990
DTXSID: DTXSID50148325
ChEBI: CHEBI:194677
EC Number: 108-796-2
Nikkaji: J480.029J

物性

構造計算による物性

XLogP: 1.6
極性表面積: 41.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 257

実験および物理化学的性質

SpringerMaterials PropertiesChemical structure

物理化学的性質

融点: 178 °C · 178 °C
比重(密度): 1.36 · 1.36±0.1 g/cm3(Predicted)
酸解離定数(Pka): 13.52 · 13.52±0.40(Predicted)
外見: solid
InChI: 1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKey: AZDWIMWFLAIPIR-UHFFFAOYSA-N
SMILES: O=C1NN=C(CC1)C(C=C2)=CC=C2Cl