4,5-ジクロロ-2-(4-クロロフェニル)-2,3-ジヒドロピリダジン-3-オン

4,5-Dichloro-2-(4-chlorophenyl)-3(2H)-pyridazinone

HCID 779402CAS 33098-11-2

部分構造検索類似構造を探す

基本情報

標準SMILES: O=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)cc1
InChIKey: NSDMHMDFFLRTAE-UHFFFAOYSA-N
分子式: C10H5Cl3N2O
平均分子量: 275.5 g/mol
単同位体質量: 273.946746

名称と識別子

優先名称: 4,5-Dichloro-2-(4-chlorophenyl)-3(2H)-pyridazinone
IUPAC: 4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one
現地名: 4,5-ジクロロ-2-(4-クロロフェニル)-2,3-ジヒドロピリダジン-3-オン
英語名: 4,5-Dichloro-2-(4-Chlorophenyl)-2,3-Dihydropyridazin-3-One
分子式: C10H5Cl3N2O
分子量: 275.52

名称と別名

33098-11-24,5-dichloro-2-(4-chlorophenyl)-2,3-dihydropyridazin-3-oneDTXSID3012301264,5-dichloro-2-(4-chlorophenyl)-3(2H)-pyridazinoneRefChem:507658DTXCID701661351870-416-24,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one4,5-Dichloro-2-(4-chlorophenyl)pyridazin-3(2H)-oneMFCD008142683(2H)-Pyridazinone, 4,5-dichloro-2-(4-chlorophenyl)-Cambridge id 5349968

名称をさらに表示

4,5-ジクロロ-2-(4-クロロフェニル)-2,3-ジヒドロピリダジン-3-オン

SCHEMBL4672474NSDMHMDFFLRTAE-UHFFFAOYSA-NIBA09811AKOS000135006BS-41876SY126142CS-0036388EN300-41154

データベース識別子

CAS: 33098-11-2
PubChem CID: 779402
DTXSID: DTXSID301230126
EC Number: 870-416-2

物性

構造計算による物性

XLogP: 3.3
極性表面積: 32.7 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 359

物理化学的性質

融点: 186 · 186-188 °C(Solv: ethanol (64-17-5))
沸点: 353 · 353.0±52.0 °C(Predicted)
比重(密度): 1.55 · 1.55±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): -4.22 · -4.22±0.60(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.