2-メチル-6-ニトロキノリン

2-Methyl-6-nitroquinoline

HCID 69172CAS 613-30-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc2cc([N+](=O)[O-])ccc2n1
InChIKey: DXDPHHQJZWWAEH-UHFFFAOYSA-N
分子式: C10H8N2O2
平均分子量: 188.18 g/mol
単同位体質量: 188.0585775

名称と識別子

優先名称: 2-Methyl-6-nitroquinoline
IUPAC: 2-methyl-6-nitroquinoline
現地名: 2-メチル-6-ニトロキノリン
英語名: 2-METHYL-6-NITROQUINOLINE
分子式: C10H8N2O2
分子量: 188.18

名称と別名

2-Methyl-6-nitroquinolineQuinoline, 2-methyl-6-nitro-DTXSID3060619RefChem:88210DTXCID1042998664-208-9DXDPHHQJZWWAEH-UHFFFAOYSA-N613-30-96-NitroquinaldineMFCD00051736HMS2802G10CCG-40762

名称をさらに表示

2-メチル-6-ニトロキノリン6-ニトロ-2-メチルキノリン6-ニトロキナルジン2-メチル-6-ニトロキノリン, 98%SKL649AKOS 92899AKOS BBS-000031346-Nitro-2-methylquinoline2-methyl-6-nitro-quinolin2-Methyl-6-nitroquinoxaline2-Methyl-6-nitroquinoline>

SY020324EN300-129756F2100-0099Quinoline,2-methyl-6-nitro-Maybridge1_001441A833167Oprea1_276369MLS000833689

データベース識別子

CAS: 613-30-9
PubChem CID: 69172
DTXSID: DTXSID3060619
ChEMBL: CHEMBL1447249
EC Number: 664-208-9
Nikkaji: J95.081E

物性

構造計算による物性

XLogP: 2.4
極性表面積: 58.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 227

実験および物理化学的性質

Solubility20.5 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 165 °C · 165 °C
沸点: 334.7 · 334.7±22.0 °C(Predicted)
比重(密度): 1.298 · 1.298±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 4.08 · 4.08±0.43(Predicted)
色: White to Light yellow to Light orange
BRN: 7915 · 7915
CAS データベース: 613 · 613-30-9(CAS DataBase Reference)
EPAの化学物質情報: 2 · Quinoline, 2-methyl-6-nitro- (613-30-9)

化学的性質

化学的特性2-Methyl-6-nitroquinoline is a solid, it reacts with oxidizing agents.

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (86.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (13.6%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (86.4%)；Eye Irrit. 2A (13.6%)；STOT SE 3 (97.7%)

法規制情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

安全データ

tsca: TSCA listed
hs_code: 2933499090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39

化学と産業

用途と製造

General Manufacturing InformationQuinoline, 2-methyl-6-nitro-: ACTIVE

応用分野

用途有機合成原料。

使用2-Methyl-6-nitroquinoline is a reagent that is used as a potent, selective, and orally efficacious antagonists of melanin-concentrating hormone receptor 1.