4'-アミノ-2'-ヒドロキシアセトフェノン

4'-アミノ-2'-ヒドロキシアセトフェノン · 1-(4-アミノ-2-ヒドロキシフェニル)エタン-1-オン · 1‐(4‐アミノ‐2‐ヒドロキシフェニル)エタン‐1‐オン · 1-(4-AMINO-2-HYDROXYPHENYL)ETHAN-1-ONE · Compound Fr14178 · Acebutolol Impurity 29 · 4'-Amino-2'-hydroxyacetophenone · 1-(4-AMINO-2-HYDROXYPHENYL)ETHANONE

https://huagongshe.com/ja/chemical/459296

識別子と物理属性

CAS No.	2476-29-1
分子式	C8H9NO2
平均分子量	151.16 g/mol
単同位体質量	151.06332853 g/mol
SMILES	CC(=O)c1ccc(N)cc1O
InChIKey	QQZFVONVJPXCSQ-UHFFFAOYSA-N
PubChem CID	459296
ChEBI	CHEBI:194597
EC No.	815-377-4
DTXSID	DTXSID30332629
現地名	4'-アミノ-2'-ヒドロキシアセトフェノン

化学・物理的性質

XLogP	1.3
極性表面積	63.3
水素結合供与体数	2
水素結合受容体数	3
回転可能結合数	1
重原子数	11
形式電荷	0
複雑度	158
融点	129-131
沸点	331.7±22.0 °C(Predicted)
密度	1.242±0.06 g/cm3(Predicted)
貯蔵条件	2-8°C(protect from light)
外観・状態	solid
pKa（酸解離定数）	10.21±0.10(Predicted)
InChI	1S/C8H9NO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,9H2,1H3
InChIKey	QQZFVONVJPXCSQ-UHFFFAOYSA-N
SMILES	CC(=O)c1ccc(N)cc1O

安全性と法規制

GHS 分類	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (50%): 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 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 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.
Hazard Classes and Categories	Acute Tox. 4 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (50%)
水環境危害等級（WGK）	WGK 3
税関コード	2914500090
危険文句（R）	22-36/37/38
危険表示	Xn
hazard_note	Harmful
安全措置（S）	22-26-36/37/39
貯蔵分類	11 - Combustible Solids

製法・合成法

製造方法

Preparation by hydrolysis of 4-acetamido-2-hydroxy-acetophenone with boiling aqueous hydrochloric acid at 50% HCl or at 15% HCl.