CAS 13315-23-6 4-Methyl-2-pyrazolin-5-one (HCID 98935)

基本情報

CAS: 13315-23-6
標準SMILES: CC1C=NNC1=O
InChIKey: GWYFIIHULJCWMO-UHFFFAOYSA-N
分子式: C4H6N2O
平均分子量: 98.1 g/mol
単同位体質量: 98.04801282

名称と識別子

優先名称: 4-Methyl-2-pyrazolin-5-one
IUPAC: 4-methyl-1,4-dihydropyrazol-5-one
現地名: 2,4-ジヒドロ-4-メチル-3H-ピラゾール-3-オン
英語名: 4-Methyl-2-pyrazolin-5-one
分子式: C4H6N2O
分子量: 98.1

名称と別名

4-Methyl-2-pyrazolin-5-one13315-23-64-Methyl-5-pyrazoloneEINECS 236-346-6DTXSID901314730NSC 147759RefChem:525172DTXCID901744660236-346-64-Methyl-1H-pyrazol-5(4H)-one4-methyl-1,4-dihydropyrazol-5-one3H-Pyrazol-3-one, 2,4-dihydro-4-methyl-

名称をさらに表示

2,4-ジヒドロ-4-メチル-3H-ピラゾール-3-オン4-メチル-2-ピラゾリン-5-オン4-メチル-4,5-ジヒドロ-1H-ピラゾール-5-オン4-Methyl-1,2-dihydro-3H-pyrazol-3-one4-METHYL-2-PYRAZOLIN-5-ONE 98%4-Methyl-2-pyrazolin-5-one,98%4-Methyl-2-pyrazolin-5-one, HPLC 98%2,4-Dihydro-4-methyl-3H-pyrazol-3-one

4-methyl-4,5-dihydro-1H-pyrazol-5-one2-Pyrazolin-5-one, 4-methyl-MFCD000030934-Methyl-2,4-dihydro-3H-pyrazol-3-oneNSC147759SCHEMBL395496SCHEMBL2419624SCHEMBL7675102

データベース識別子

CAS: 13315-23-6
PubChem CID: 98935
DTXSID: DTXSID901314730
EC Number: 236-346-6
Nikkaji: J213.833F

物性

構造計算による物性

XLogP: -0.2
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: 0
重原子数: 7
形式電荷: 0
複雑度: 119

物理化学的性質

融点: 230 · 230-232 °C (dec.) (lit.)
沸点: 183.6 °C · 183.6°C (rough estimate)
比重(密度): 1.189 · 1.1890 (rough estimate)
屈折率: 1.4327 · 1.4327 (estimate)
InChI: 1S/C4H6N2O/c1-3-2-5-6-4(3)7/h2-3H,1H3,(H,6,7)
InChIKey: GWYFIIHULJCWMO-UHFFFAOYSA-N
SMILES: CC1C=NNC1=O

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用4-Methyl-2-pyrazolin-5-one may be used in chemical synthesis.

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化合物ノート

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