3-メトキシ-2-ニトロピリジン

3-Methoxy-2-nitropyridine

HCID 556063

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 20265-37-6
標準SMILES: COc1cccnc1[N+](=O)[O-]
InChIKey: LSXHCFSGOBFNDX-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: 3-Methoxy-2-nitropyridine
IUPAC: 3-methoxy-2-nitropyridine
現地名: 3-メトキシ-2-ニトロピリジン
英語名: 3-Methoxy-2-nitropyridine
分子式: C6H6N2O3
分子量: 154.12

名称と別名

3-Methoxy-2-nitropyridine20265-37-6DTXSID70339415RefChem:503080DTXCID70290496606-480-32-Nitro-3-methoxypyridine3-methoxy-2-nitro-pyridineMFCD002222763-methoxy-2-nitropyridinPYRIDINE, 3-METHOXY-2-NITRO-2-Nitro-2-methoxypyridine

名称をさらに表示

3-メトキシ-2-ニトロピリジン3M2NPmethoxynitropyridineMethoxy-2-nitropyridMethoxy-2-nitropyridine3-METHOXYL-2-NITROPYRIDINE3-Methoxy-2-nitropyridine>Pyridine, 3-methoxy-2-nitro-3-Methoxy-2-nitropyridine 99%

SCHEMBL84373-Methoxy-2-nitropyridine #3-(methyloxy)-2-nitropyridineSCHEMBL8789338SCHEMBL252880453-Methoxy-2-nitropyridine, 98%BBL009976SBB055722

データベース識別子

CAS: 20265-37-6
PubChem CID: 556063
DTXSID: DTXSID70339415
EC Number: 606-480-3

物性

構造計算による物性

XLogP: 0.7
極性表面積: 67.9 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 145

物理化学的性質

融点: 73 · 73-76 °C (lit.)
沸点: 311.8 · 311.8±22.0 °C(Predicted)
比重(密度): 1.3 · 1.300±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
酸解離定数(Pka): -6.34 · -6.34±0.10(Predicted)
色: White to Yellow to Green
InChI: InChI=1S/C6H6N2O3/c1-11-5-3-2-4-7-6(5)8(9)10/h2-4H,1H3
InChIKey: QRCUQLANPHYVEH-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=NC=CC=C1OC
CAS データベース: 20265 · 20265-37-6(CAS DataBase Reference)

化学的性質

化学的特性White to yellow solid

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 (97.7%): 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 43 reports by companies from 6 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.