5,8-ジヒドロ-1-ナフトール

5,8-Dihydro-1-naphthol

HCID 97466

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 27673-48-9
標準SMILES: Oc1cccc2c1CC=CC2
InChIKey: OAHLLHJOPUWLKW-UHFFFAOYSA-N
分子式: C10H10O
平均分子量: 146.19 g/mol
単同位体質量: 146.07316494

名称と識別子

優先名称: 5,8-Dihydro-1-naphthol
IUPAC: 5,8-dihydronaphthalen-1-ol
現地名: 5,8-ジヒドロ-1-ナフトール
英語名: 5,8-Dihydronaphthol
分子式: C10H10O
分子量: 146.19

名称と別名

5,8-Dihydro-1-naphthol27673-48-9NSC 125584EINECS 248-596-3DTXSID30182040RefChem:528340DTXCID40104531248-596-35,8-dihydronaphthalen-1-ol1-Naphthalenol, 5,8-dihydro-5,8-Dihydro-naphthalen-1-ol5,8-Dihydro-1-naphthalenol

名称をさらに表示

5,8-ジヒドロ-1-ナフタレノール5,8-ジヒドロナフタレン-1-オール5,8-ジヒドロ-1-ナフトール5,8-ジヒドロ-1-ナフトル5,8-ジヒドロ-1-ナフトール (90%)Dihydronaphthol5,8-DIHYDRO NAPTHOL5,8-Di Hydro Naphthol5,8-Dihydronaphthalene-1-ol

MFCD001282475,8-Dihydro-1-naphthol (90per cent)5,8-Dihydronaphthol5,8-Dihydro-1-naphthol (>80%)5,8-Dihydronaphtol5,8-Dihydro-1-naphthol (90%)5-Hydroxy-1,4-dihydronaphthaleneNSC125584

データベース識別子

CAS: 27673-48-9
PubChem CID: 97466
DTXSID: DTXSID30182040
EC Number: 248-596-3
Nikkaji: J250.569J

物性

構造計算による物性

XLogP: 2.7
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 162

物理化学的性質

融点: 56 · 56-60°C
沸点: 120 °C · 120 °C(Press: 1 Torr)
比重(密度): 1.142 · 1.142±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: soluble in Chloroform, DMSO, Methanol
外見: Solid
酸解離定数(Pka): 10.18 · 10.18±0.20(Predicted)
色: Dark Brown
InChI: InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7,11H,4,6H2
InChIKey: OAHLLHJOPUWLKW-UHFFFAOYSA-N
SMILES: C1(O)=C2C(CC=CC2)=CC=C1
CAS データベース: 27673 · 27673-48-9(CAS DataBase Reference)

化学的性質

化学的特性Dark Brown Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (17.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (91.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 7 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.