CAS 103262-52-8 5-Methyl-2-phenyl-2H-pyrazole-3,4-dione 4-oxime (HCID 608928)

基本情報

CAS: 103262-52-8
標準SMILES: Cc1[nH]n(-c2ccccc2)c(=O)c1N=O
InChIKey: DTYABAPGESPUEA-UHFFFAOYSA-N
分子式: C10H9N3O2
平均分子量: 203.2 g/mol
単同位体質量: 203.06947654

名称と識別子

優先名称: 5-Methyl-2-phenyl-2H-pyrazole-3,4-dione 4-oxime
IUPAC: 5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one
現地名: (4Z)-3-メチル-1-フェニル-1H-ピラゾール-4,5-ジオン4-オキシム
英語名: 5-Methyl-2-phenyl-2H-pyrazole-3,4-dione 4-oxime
分子式: C10H9N3O2
分子量: 203.2

名称と別名

1080-89-35-Methyl-2-phenyl-2H-pyrazole-3,4-dione 4-oximeRefChem:537038651-663-35-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one(4Z)-3-methyl-1-phenyl-1H-pyrazole-4,5-dione 4-oximeMFCD004485194-(hydroxyimino)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one62349-60-462386-05-4MFCD001765091H-Pyrazole-4,5-dione, 3-methyl-1-phenyl-, 4-oxime, (E)-

名称をさらに表示

(4Z)-3-メチル-1-フェニル-1H-ピラゾール-4,5-ジオン4-オキシムAKOS BC-1603TIMTEC-BB SBB0004201H-Pyrazole-4,5-dione, 3-methyl-1-phenyl-, 4-oximeC-Nitroso Edaravone Impurity 9 (Mixture of Isomers)

(4Z)-4-(hydroxyimino)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one3-methyl-1-phenyl-1H-pyrazole-4,5-dione 4-oxime4-(hydroxyimino)-3-methyl-1-phenyl-1,2-diazolin-5-one4-(Hydroxyimino)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one1H-pyrazole-4,5-dione, 3-methyl-1-phenyl-, 4-oxime, (4Z)-3-methyl-4-nitroso-1-phenyl-1H-pyrazol-5-ol87085-88-91-Phenyl-3-methyl-4-oximido-2-pyrazolin-5-one

データベース識別子

CAS

物性

構造計算による物性

XLogP: 1.4
極性表面積: 61.8 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: 15
形式電荷: 0
複雑度: 319

物理化学的性質

融点: 158 °C · 158 °C
沸点: 347.6 · 347.6±25.0 °C(Predicted)
比重(密度): 1.35 · 1.35±0.1 g/cm3(Predicted)
酸解離定数(Pka): 8.28 · 8.28±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (97.4%)

安全データ

hazard_class: IRRITANT

化学と産業

サプライヤー3 社

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]

南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]

化合物ノート

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