6-ヒドロキシ-1-テトラロン

6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone

HCID 4679494

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 3470-50-6
標準SMILES: O=C1CCCc2cc(O)ccc21
InChIKey: FNSQPQKPPGALFA-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: 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone
IUPAC: 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
現地名: 6-ヒドロキシ-1-テトラロン
英語名: 6-Hydroxy-1-tetralone
分子式: C10H10O2
分子量: 162.19

名称と別名

6-Hydroxy-3,4-dihydro-1(2H)-naphthalenoneRefChem:543381623-619-36-Hydroxy-1-tetralone3470-50-66-Hydroxy-3,4-dihydronaphthalen-1(2H)-one6-hydroxy-3,4-dihydro-2H-naphthalen-1-one6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-oneMFCD001566706-hydroxytetralone6-hydroxy tetraloneCHEMBL3288306

名称をさらに表示

6-ヒドロキシ-1-テトラロン6‐ヒドロキシ‐1‐テトラロン6-ヒドロキシ-3,4-ジヒドロ-1(2H)-ナフタレノン6-ヒドロキシ-1-テトラロン, 97%enone4-dihydro-6-hydroxy-1-Tetralon-6-ol6-hydroxy-1-naphthone6-hydroxyl-1-tetralone6-Hydroxy-1-tetralone>6-HYDROXY-1-TETRALONE 98.5%6-Hydroxy-3,4-dihydro-1(2H)-naphthaL

DTXSID30405488BDBM50017515AKOS005258189AC-1123MB007846-hydroxy-2,3,4-trihydronaphthalen-1-one6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone, 98%Z877546758

データベース識別子

CAS: 3470-50-6
PubChem CID: 4679494
DTXSID: DTXSID30405488
ChEMBL: CHEMBL3288306
EC Number: 623-619-3
Nikkaji: J68.590I

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: 154 · 154-157 °C(lit.)
沸点: 358 · 358.0±31.0 °C(Predicted)
比重(密度): 1.236 · 1.236±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): 8.22 · 8.22±0.20(Predicted)
外見: 結晶性粉末
色: オフホワイトからブラウン
InChI: InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2
InChIKey: FNSQPQKPPGALFA-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(O)C=C2)CCC1
CAS データベース: 3470 · 3470-50-6(CAS DataBase Reference)

化学的性質

化学的特性gray powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 74 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29145090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用6-Hydroxy-1-tetralone is used as a starting material for a one-pot conversion of phenols to anilines.

一般的な説明6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone (6-Hydroxy-1-tetralone) can be prepared by the demethylation of 6-methoxy-3,4-dihydro-1(2H)-naphthalenone. It participates in the synthesis of 2-alkylamino-6-hydroxy-5-hydroxymethyl-1,2,3,4-tetrahydro-1-naphthalenols. Its pKa value has been reported to be 7.74.