7-ヒドロキシ-1-テトラロン

7-hydroxy-3,4-dihydro-2H-naphthalen-1-one

HCID 571818

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 22009-38-7
標準SMILES: O=C1CCCc2ccc(O)cc21
InChIKey: LGFSAJZSDNYVCW-UHFFFAOYSA-N
分子式: C10H10O2
平均分子量: 162.18 g/mol
単同位体質量: 162.06807956

名称と識別子

優先名称: 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
IUPAC: 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
現地名: 7-ヒドロキシ-1-テトラロン
英語名: 7-Hydroxy-1-tetralone
分子式: C10H10O2
分子量: 162.19

名称と別名

7-hydroxy-3,4-dihydro-2H-naphthalen-1-one3,4-dihydro-7-hydroxy-1(2H)-naphthalenoneRefChem:546545696-527-47-Hydroxy-1-tetralone22009-38-77-Hydroxy-3,4-dihydronaphthalen-1(2H)-oneMFCD013122257-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONESCHEMBL3855547-Hydroxy-1-tetralone (5)7-Hydroxy-3,4-dihydro-1(2H)-naphthalenone

名称をさらに表示

7-ヒドロキシ-1-テトラロン7-ヒドロキシ-3,4-ジヒドロナフタレン-1(2H)-オン4-dihydro-7-hydroxy-7-hydroxyl-1-tetraloneAgomelatine Impurity 487-Hydroxy-1-tetralone 99%Allisartan Isoproxil Impurity 247-hydroxy-1-tetrahydronaphthalone7- Hydroxyl -1-tetrahydronaphthalene7-Hydroxy-3,4-dihydro-2H-1-naphthone

MB01768AC-27437H16507-Hydroxytetralin-1-oneZ11981565797-hydroxytetralone1(2H)-Naphthalenone, 3,4-dihydro-7-hydroxy-AMY14181

データベース識別子

CAS: 22009-38-7
PubChem CID: 571818
DTXSID: DTXSID00341263
EC Number: 696-527-4
Nikkaji: J1.854.436I

物性

構造計算による物性

XLogP: 1.7
極性表面積: 37.3 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: 12
形式電荷: 0
複雑度: 188

物理化学的性質

融点: 164 to · 164.0 to 168.0 °C
沸点: 215 °C/12mmHg · 215°C/12mmHg(lit.)
比重(密度): 1.236 · 1.236±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 9.44 · 9.44±0.20(Predicted)
色: White to Gray to Brown
InChI: InChI=1S/C10H10O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,11H,1-3H2
InChIKey: LGFSAJZSDNYVCW-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC(O)=C2)CCC1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 29-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19228

Hazard Classes and CategoriesAcute Tox. 4 (50%)

安全データ

hs_code: 2914500075
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

化学と産業

応用分野 · 1 件

使用7-Hydroxy-1-tetralone, its derivatives and related fluorescent chalcones have been used as pharmacological tools to study the human histamine H3 receptor. Also C7-Substituted α-Tetralone derivatives have been study as Inhibitors of Monoamine Oxidase.