6-ヒドロキシ-2-メチル-3-ニトロピリジン

2-Hydroxy-6-methyl-5-nitropyridine

HCID 543053

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 28489-45-4
標準SMILES: Cc1[nH]c(=O)ccc1[N+](=O)[O-]
InChIKey: AJDDHNXZBGZBJN-UHFFFAOYSA-N
分子式: C6H6N2O3
平均分子量: 154.12 g/mol
単同位体質量: 154.03784206

名称と識別子

優先名称: 2-Hydroxy-6-methyl-5-nitropyridine
IUPAC: 6-methyl-5-nitro-1H-pyridin-2-one
現地名: 6-ヒドロキシ-2-メチル-3-ニトロピリジン
英語名: 2-Hydroxy-6-methyl-5-nitropyridine
分子式: C6H6N2O3
分子量: 154.12

名称と別名

2-Hydroxy-6-methyl-5-nitropyridineRefChem:473317640-489-328489-45-46-Methyl-5-nitropyridin-2-ol6-Hydroxy-3-nitro-2-picoline6-Hydroxy-2-methyl-3-nitropyridine6-methyl-5-nitro-1H-pyridin-2-one2(1H)-Pyridinone, 6-methyl-5-nitro-MFCD000920106-Methyl-5-nitropyridin-2(1H)-one6-methyl-5-nitro-pyridin-2-ol

名称をさらに表示

6-ヒドロキシ-2-メチル-3-ニトロピリジン6-メチル-5-ニトロ-2-ピリジノール6‐ヒドロキシ‐3‐ニトロ‐2‐ピコリン2-ヒドロキシ-6-メチル-5-ニトロピリジン6-メチル-5-ニトロピリジン-2-オール6-ヒドロキシ-3-ニトロ-2-ピコリン2-Hydroxy-6-methyL6-Methyl-5-nitro-2-pyridone6-METHYL-5-NITRO-2-PYRIDINOL2-Hydorxy-5-Nitro-6-Picoline2-HYDROXY-5-NITRO-6-PICOLINEand6-HYDROXY-3-NITRO-2-PICOLINE6-Hydroxy-3-nitro-2-picoline,98%

6-Methyl-5-nitro-2(1h)-pyridinoneSCHEMBL952538STL365542AKOS000417362AC-5402GS-3407EN300-854016-methyl-5-nitro-1,2-dihydropyridin-2-one

データベース識別子

CAS: 28489-45-4
PubChem CID: 543053
DTXSID: DTXSID00337484
EC Number: 640-489-3
Nikkaji: J2.649.749C

物性

構造計算による物性

XLogP: 0.1
極性表面積: 74.9 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 272

物理化学的性質

融点: 230 · 230-232 °C
沸点: 277.46 °C · 277.46°C (rough estimate)
比重(密度): 1.4564 · 1.4564 (rough estimate)
屈折率: 1.51 · 1.5100 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: soluble in Dimethylformamide
酸解離定数(Pka): 8.16 · 8.16±0.10(Predicted)
外見: 結晶性粉末
色: 薄茶～茶
InChI: InChI=1S/C6H6N2O3/c1-4-5(8(10)11)2-3-6(9)7-4/h2-3H,1H3,(H,7,9)
InChIKey: AJDDHNXZBGZBJN-UHFFFAOYSA-N
SMILES: C1(=O)NC(C)=C([N+]([O-])=O)C=C1
CAS データベース: 28489 · 28489-45-4(CAS DataBase Reference)

化学的性質

化学的特性Light yellow cryst

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (17.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 35 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (17.1%)

安全データ

hs_code: 29333990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 37/39-26

化学と産業

応用分野

使用2-Hydroxy-6-methyl-5-nitropyridine is a versatile building block that can be used to create a range of compounds, such as 3-Amino-2-methylpyridine, 6-Chloro-2-methyl-3-nitropyridine, etc.

上流・下流製品情報

上流原料

カリウムヒドロキシド 6-アミノ-2-ピコリン亜硝酸ナトリウム硝酸硫酸水素 6-アミノ-3-ニトロ-2-ピコリン 6-メトキシ-3-ニトロ-2-ピコリン

下流製品

5-アミノ-6-クロロ-2-ピコリン塩化物 5-メトキシ-1H-ピロロ[3,2-B]ピリジン 2-メチルピリジン-3-アミン Pyridine,6-hydrazinyl-2-methyl-3-nitro-1,6-diMethyl-5-nitropyridin-2(1H)-one

サプライヤー100 社

常州帝通化工有限公司+86-0519-88298848 · [email protected]

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

化合物ノート

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