CAS 22246-18-0 7-Hydroxy-3,4-dihydrocarbostyril (HCID 2785758)

名称と識別子

優先名称: 7-Hydroxy-3,4-dihydrocarbostyril
IUPAC: 7-hydroxy-3,4-dihydro-1H-quinolin-2-one
現地名: 3,4-ジヒドロ-7-ヒドロキシ-2(1H)-キノリノン
英語名: 3,4-Dihydro-7-hydroxy-2(1H)-quinolinone
分子式: C9H9NO2
分子量: 163.17

名称と別名

22246-18-03,4-Dihydro-7-hydroxy-2(1H)-quinolinone7-hydroxy-3,4-dihydroquinolin-2(1H)-one7-Hydroxy-3,4-dihydro-2(1H)-quinolinone7-Hydroxy-3,4-dihydrocarbostyril3,4-dihydroquinoline-2,7-diolVFU6XCR3Q32(1H)-QUINOLINONE, 3,4-DIHYDRO-7-HYDROXY-DTXSID703829413,4-Dihydro-7-hydroxy-2(1H)-quinolineARIPIPRAZOLE IMPURITY A [EP IMPURITY]ARIPIPRAZOLE IMPURITY A (EP IMPURITY)

名称をさらに表示

3,4-ジヒドロ-7-ヒドロキシ-2(1H)-キノリノン7-ヒドロキシ-3,4-ジヒドロキノリン-2(1H)-オン7-ヒドロキシ-3,4-ジヒドロ-2(1H)-キノリノン7-ヒドロキシ-3,4-ジヒドロカルボスチリル7-ヒドロキシ-2-オキソ-1,2,3,4-テトラヒドロキノリン3,4-ジヒドロ-7-ヒドロキシキノリン-2(1H)-オン7-HYDROXY-3,4-DIHYDRO-2(1H)-CHINOLINON7-Hydroxy-3AURORA KA-4813Aripiprazole Imp.A3,4-Dihydro-7-hydrox7-Hydroxy carbostyril

RefChem:546546DTXCID40333965606-966-57-hydroxy-3,4-dihydro-1H-quinolin-2-one3,4-Dihydro-7-hydroxycarbostyrilAripiprazole EP Impurity A3,4-Dihydro-7-hydroxyquinoline-2(1H)-oneMFCD06410891

データベース識別子

CAS: 22246-18-0
PubChem CID: 2785758
DTXSID: DTXSID70382941
ChEMBL: CHEMBL2430711
ChEBI: CHEBI:228791
UNII: VFU6XCR3Q3
EC Number: 606-966-5
Nikkaji: J28.258H

物性

構造計算による物性

XLogP: 0.7
極性表面積: 49.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 193

物理化学的性質

融点: 233 · 233-237 °C
沸点: 403.7 · 403.7±45.0 °C(Predicted)
比重(密度): 1.282 · 1.282±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 9.6 · 9.60±0.20(Predicted)
色: ペールイエロー
InChI: InChI=1S/C9H9NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,11H,2,4H2,(H,10,12)
InChIKey: LKLSFDWYIBUGNT-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(O)=C2)CCC1=O
CAS データベース: 22246 · 22246-18-0(CAS DataBase Reference)

化学的性質

化学的特性Pale Yellow Powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.

Warning

H302 (84.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (82.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (13.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 51 reports by companies.；There are 6 notifications provided by 50 of 51 reports by companies with hazard statement code(s).；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 (84.3%)；Skin Irrit. 2 (11.8%)；Skin Sens. 1 (82.4%)；Eye Irrit. 2 (13.7%)；STOT SE 3 (11.8%)

安全データ

wgk: 3
hs_code: 29334900
risk_code: 22-43
化審法: 新規公示化学物質（2011年3月31日以前届出）
hazard_code: Xn,Xi
safety_code: 36/37
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

使用3,4-Dihydro-7-hydroxyquinoline-2(1H)-one (Aripiprazole EP Impurity A) is an antitumor agent. Hydroxyindole analog inhibitor tyrosinase melanoma. This compound is also used in the preparation of aripiprazole (A771000).