7-Isoquinolinol (HCID 459767)

名称と識別子

優先名称: 7-Isoquinolinol
IUPAC: isoquinolin-7-ol
現地名: 7-ヒドロキシイソキノリン
英語名: 7-Hydroxyisoquinoline
分子式: C9H7NO
分子量: 145.16

名称と別名

7-Hydroxyisoquinoline7651-83-47-IsoquinolinolDTXSID90901678RefChem:546618DTXCID901329979676-883-7isoquinolin-7-ol14476-74-5MFCD00456131isoquinoline, 7-hydroxy-SCHEMBL276614

名称をさらに表示

7-ヒドロキシイソキノリン7-ヒドロキシイソキノリン, 97%IFLAB-BB F2124-06597-Hydroxyisoquinoline 98%7-Hydroxyisoquinoline,97%7-Hydroxyisoquinoline,97%,HC-60027-Hydroxyisoquinoline, 95% (Custom work)7-Hydroxyisoquinoline ISO 9001：2015 REACHIsoquinolin-7-ol, 7-Hydroxy-2-azanaphthalene

SCHEMBL276615SCHEMBL1450911WCRKBMABEPCYII-UHFFFAOYSA-NSBB056018AKOS001061431AC-9567CS-W011000MB01177

データベース識別子

CAS: 7651-83-4
PubChem CID: 459767
DTXSID: DTXSID90901678
EC Number: 676-883-7
Nikkaji: J1.094.755C

物性

構造計算による物性

XLogP: 1.9
極性表面積: 33.1 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 138

物理化学的性質

融点: 226 · 226-228°C
沸点: 264.27 °C · 264.27°C (rough estimate)
比重(密度): 1.1555 · 1.1555 (rough estimate)
屈折率: 1.45 · 1.4500 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: メタノール、濃硫酸に可溶。
酸解離定数(Pka): 5.68 · 5.68(at 20℃)
外見: solid
色: Off-white to light yellow
BRN: 113224 · 113224
CAS データベース: 7651 · 7651-83-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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 6 reports by companies from 3 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 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)

安全データ

hs_code: 2933499090
risk_code: 36/37/38-41-37/38-22
hazard_code: Xn
hazard_note: Harmful/Keep Cold
safety_code: 26-36/37/39-39

化学と産業

応用分野 · 1 件

使用7-Hydroxyisoquinoline is used to study its photophysial behavior in polymer matrices such as polymethyl methacrylate, cellulose acetate, polyvinyl alcohol and sulfonated tetrafluoroethylene based fluoropolymer- copolymer. It also used to prepare quinine. Further, it is used as the material for all optical switching due to its excited state proton transfer (ESPT) effect.