5-Nitroquinoline-8-carboxylic acid

HCID 15405331CAS 83848-59-3

基本情報

標準SMILES: O=C(O)c1ccc([N+](=O)[O-])c2cccnc12
InChIKey: HXHZCOASPJWXPP-UHFFFAOYSA-N
分子式: C10H6N2O4
平均分子量: 218.17 g/mol
単同位体質量: 218.03275668

名称と識別子

優先名称: 5-Nitroquinoline-8-carboxylic acid
IUPAC: 5-nitroquinoline-8-carboxylic acid
英語名: 5-nitroquinoline-8-carboxylic acid
分子式: C10H6N2O4
分子量: 218.17

名称と別名

5-nitroquinoline-8-carboxylic acidRefChem:537457823-495-283848-59-38-Quinolinecarboxylic acid, 5-nitro-Oprea1_006490SCHEMBL2961445CHEMBL42279425-nitroquinoline-8-carboxylicacidDTXSID00876181HXHZCOASPJWXPP-UHFFFAOYSA-N5-nitro-8-quinolinecarboxylic acid

名称をさらに表示

5-nitroquinoline-8-carboxilic acidIDA84859MFCD01435910AKOS002328850SY187149ST45184262EN300-75852G92182

データベース識別子

CAS: 83848-59-3
PubChem CID: 15405331
DTXSID: DTXSID00876181
ChEMBL: CHEMBL4227942
EC Number: 823-495-2

物性

構造計算による物性

XLogP: 1.5
極性表面積: 96 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 302

物理化学的性質

融点: 209 · 209-213 °C
沸点: 468.6 · 468.6±35.0 °C(Predicted)
比重(密度): 1.545 · 1.545±0.06 g/cm3(Predicted)
酸解離定数(Pka): -3.2 · -3.20±0.10(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)

Aggregated GHS information provided per 2 reports by companies from 2 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

上流・下流製品情報

下流製品

8-Quinolinecarboxylicacid,5-amino-(9CI)

サプライヤー5 社

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]

上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]

江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]