2,4-Dichloro-3-nitroquinoline

HCID 2785138

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基本情報

CAS: 132521-66-5
標準SMILES: O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl
InChIKey: RSFJVCHKGRUCIC-UHFFFAOYSA-N
分子式: C9H4Cl2N2O2
平均分子量: 243.04 g/mol
単同位体質量: 241.96498273

名称と識別子

優先名称: 2,4-Dichloro-3-nitroquinoline
IUPAC: 2,4-dichloro-3-nitroquinoline
英語名: 2,4-Dichloro-3-nitro-quinoline
分子式: C9H4Cl2N2O2
分子量: 243.05

名称と別名

2,4-dichloro-3-nitroquinoline132521-66-5DTXSID90382862RefChem:246209DTXCID60333886819-859-52,4-dichloro-3-nitro-quinolineQuinoline, 2,4-dichloro-3-nitro-MFCD056662852,4-dichloro-3-nitro quinolineSCHEMBL159319AKOS000320153

名称をさらに表示

Zinc02551827AURORA KA-41442,4-Dichlor-3-nitro-chinolin3-NITRO-2,4-DICHLORO QUINOLINE2,4-Dichloro-3-nitroquinoline 95%Benzaldehyde,4-methoxy-4-(phenylmethoxy)-2,4-DICHLORO-3-NITRO-QUINOLINE ISO 9001：2015 REACH

AB22422AC-18616AS-43339DU3N6UU5A6orb3022825SCHEMBL29809325TPL0175FD159596

データベース識別子

CAS: 132521-66-5
PubChem CID: 2785138
DTXSID: DTXSID90382862
UNII: DU3N6UU5A6
EC Number: 819-859-5

物性

構造計算による物性

XLogP: 3.6
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: 15
形式電荷: 0
複雑度: 259

物理化学的性質

融点: 102 °C · 102 °C(Solv: methanol (67-56-1); ethyl acetate (141-78-6))
沸点: 359.7 · 359.7±37.0 °C(Predicted)
比重(密度): 1.593 · 1.593±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C Freezer
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): -4.98 · -4.98±0.50(Predicted)
色: ホワイトからオフホワイト
InChI: InChI=1S/C9H4Cl2N2O2/c10-7-5-3-1-2-4-6(5)12-9(11)8(7)13(14)15/h1-4H
InChIKey: RSFJVCHKGRUCIC-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(Cl)=C([N+]([O-])=O)C=1Cl

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 3 reports by companies from 3 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 CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2933499090

化学と産業

応用分野 · 2 件

説明2,4-Dichloro-3-nitroquinoline is a chemotherapeutic drug that belongs to the class of epidermal growth factor receptor (EGFR) inhibitors. This agent has anticancer activity against cells in the G1 phase of the cell cycle and may also have some antiproliferative effects on tumor cells. 2,4-Dichloro-3-nitroquinoline binds to EGFR and inhibits the binding of epidermal growth factor (EGF) to its receptor. This binding causes the activation of downstream signaling pathways that regulate cell proliferation.

使用2,4-Dichloro-3-nitroquinoline has antitumor activity.