5,6,7,8-Tetrahydro-1-naphthol (HCID 68258)

概要

5,6,7,8-tetrahydro-1-naphthol is 1-naphthol hydrogenated at C-5, -6, -7 and -8.

名称と識別子

優先名称: 5,6,7,8-Tetrahydro-1-naphthol
IUPAC: 5,6,7,8-tetrahydronaphthalen-1-ol
現地名: 5,6,7,8-テトラヒドロ-1-ナフトール
英語名: 5,6,7,8-TETRAHYDRO-1-NAPHTHOL
分子式: C10H12O
分子量: 148.2

名称と別名

5,6,7,8-Tetrahydro-1-naphthol5,6,7,8-tetrahydronaphthalen-1-ol5-Hydroxytetralintetralin-5-ol1-Naphthalenol, 5,6,7,8-tetrahydro-5,6,7,8-Tetrahydro-1-naphthalenol5,6,7,8-tetrahydronaphtholUNII-1R7B5I98HV1R7B5I98HV1,2,3,4-Tetrahydro-5-hydroxynaphthalene1-hydroxy-5,6,7,8-tetrahydronaphthalene1,2,3,4-tetrahydro-5-naphthol

名称をさらに表示

5,6,7,8-テトラヒドロ-1-ナフトール5,6,7,8-テトラヒドロナフタレン-1-オール5,6,7,8-テトラヒドロ-1-ナフトール, 99%5,6,7,8-テトラヒドロ-1-ナフト-ルテトラリン-5-オールar-α-テトラロール1-テトラロール1,2,3,4-テトラヒドロナフタレン-5-オール1,2,3,4-テトラヒドロ-5-ナフトール1-ヒドロキシ-5,6,7,8-テトラヒドロナフタレンar-1-テトラロール5-ヒドロキシテトラリンar-テトラヒドロ-α-ナフトールTetrahydro-alpha-naphthol5,6,7,8-TETRAHYDRO-1-NAPTHOL

EINECS 208-461-1NSC 28822NSC-28822DTXSID8074570CHEBI:459005,6,7,8-TetrahydronaphthalenolNaphthalenol, 5,6,7,8-tetrahydro-5,6,7,8-TETRAHYDRO-1-HYDROXYNAPHTHALENE

データベース識別子

CAS: 529-35-1
PubChem CID: 68258
DTXSID: DTXSID8074570
ChEMBL: CHEMBL449132
ChEBI: CHEBI:45900
UNII: 1R7B5I98HV
EC Number: 208-461-1
Nikkaji: J6.685K

物性

構造計算による物性

XLogP: 2.9
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: 133

実験および物理化学的性質

SpringerMaterials PropertiesSurface tension

物理化学的性質

融点: 69 · 69-71 °C(lit.)
沸点: 264 · 264-265 °C705 mm Hg(lit.)
比重(密度): 1.0556 · 1.0556
屈折率: 1.5 · 1.5000 (estimate)
闪点: 264 · 264-265°C/705mm
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 1 · pK1:10.28 (25°C)
色: オフホワイトからペールオレンジ
BRN: 1865081 · 1865081
InChI: InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
InChIKey: SCWNNOCLLOHZIG-UHFFFAOYSA-N
SMILES: C1(O)=C2C(CCCC2)=CC=C1
CAS データベース: 529 · 529-35-1(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Naphthalenol, 5,6,7,8-tetrahydro- (529-35-1)

化学的性質

化学的特性white to slightly pink crystalline mass or

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 135 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

Regulatory Information · 2 件

Chemical: 1-Naphthalenol, 5,6,7,8-tetrahydro-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29071990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
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

用途と製造

General Manufacturing Information1-Naphthalenol, 5,6,7,8-tetrahydro-: ACTIVE

応用分野 · 1 件

使用5,6,7,8-Tetrahydro-1-naphthalenol was used as a reagent in the synthesis of phosphonamidate and phosphonodiamidate prodrugs of adefovir and tenofovir which are used in the treatment of HIV infections. Also used in the synthesis of tetrahydronaphthalene-1-ol derivatives which were found to be promising potent antitumor agents.