CAS 241798-60-7 5-Methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid (HCID 16777624)

基本情報

CAS: 241798-60-7
標準SMILES: Cc1c(C(=O)O)cnn1-c1ccccn1
InChIKey: CQEIZYGGTNLXOM-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-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
IUPAC: 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
現地名: 5-メチル-1-ピリジン-2-イル-1H-ピラゾール-4-カルボン酸
英語名: 5-methyl-1-(2-pyridinyl)-1H-pyrazole-4-carboxylic acid(SALTDATA: FREE)
分子式: C10H9N3O2
分子量: 203.2

名称と別名

241798-60-75-Methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acidDTXSID70588340RefChem:303942DTXCID60539104828-627-25-methyl-1-pyridin-2-yl-1H-pyrazole-4-carboxylic acidMFCD090500855-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid5-methyl-1-(2-pyridinyl)-1h-pyrazole-4-carboxylic acid1H-Pyrazole-4-carboxylic acid, 5-methyl-1-(2-pyridinyl)-5-Methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid

名称をさらに表示

5-メチル-1-ピリジン-2-イル-1H-ピラゾール-4-カルボン酸5-メチル-1-(2-ピリジニル)-1H-ピラゾール-4-カルボン酸5-methyl-1-(2-pyridyl)-4-pyrazolecarboxylic acid5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylic acid5-Methyl-1-pyridin-2-yl-1H-pyrazol-4-carboxylic acid5-methyl-1-(2-pyridinyl)-1H-pyrazole-4-carboxylic acid(SALTDATA: FREE)

SCHEMBL3517338CQEIZYGGTNLXOM-UHFFFAOYSA-NALBB-012547AKOS000133607DA-37167LS-03927EN300-35723G19797

データベース識別子

CAS: 241798-60-7
PubChem CID: 16777624
DTXSID: DTXSID70588340
EC Number: 828-627-2

物性

構造計算による物性

XLogP: 1.1
極性表面積: 68 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: 2
重原子数: 15
形式電荷: 0
複雑度: 247

物理化学的性質

沸点: 414.4 · 414.4±30.0 °C(Predicted)
比重(密度): 1.35 · 1.35±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 3.11 · 3.11±0.25(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

risk_code: 36
hazard_code: Xi
safety_code: 26
hazard_class: IRRITANT

化学と産業

サプライヤー11 社

烟台盛凯伦生物制品有限公司13356901049 · [email protected]

上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]

常州探索化学有限公司15295164949 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

化合物ノート

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