1-(ヒドロキシメチル)ナフタレン

1-Naphthalenemethanol

HCID 20908CAS 4780-79-4
部分構造検索類似構造を探す

基本情報

標準SMILES
OCc1cccc2ccccc12
InChIKey
PBLNHHSDYFYZNC-UHFFFAOYSA-N
分子式
C11H10O
平均分子量
158.2 g/mol
単同位体質量
158.07316494

概要

(1-naphthyl)methanol is a naphthylmethanol that is methanol in which one of the hydrogens of the methyl group is replaced by a naphthalen-1-yl group. It has a role as a mouse metabolite.

名称と識別子

優先名称
1-Naphthalenemethanol
IUPAC
naphthalen-1-ylmethanol
現地名
1-(ヒドロキシメチル)ナフタレン
英語名
1-Naphthalenemethanol
分子式
C11H10O
分子量
158.2

名称と別名

1-NAPHTHALENEMETHANOL4780-79-4naphthalen-1-ylmethanol1-Naphthylmethanol1-Hydroxymethylnaphthalene1-Menaphthyl alcohol1-Naphthylmethyl alcohol(1-naphthyl)methanol1-Naphthylenemethanolalpha-Naphthylcarbinolalpha-Naphthylmethanol4L2MEJ1Q34
名称をさらに表示
(1-ナフチル)メタノールナフタレン-1-メタノール1-ナフタレンメタノール1-(ヒドロキシメチル)ナフタレン1-ナフチルメタノール1‐ナフタレンメタノール1-ナフタレンメタノール, 98+%ナフタレン-1-イルメタノール1-ヒドロキシメチルナフタレン(ナフタレン-1-イル)メタノールNaphthaleneMethanol1-menaphthylalcoholFC7H1-NaphthaLenemethanoL1-Naphtylmethanol1-Naphthylcarbinol1-phthalenemethanolRARECHEM AL BD 0090
NSC-5315CHEBI:38137DTXSID30197295hydroxymethylnaphthaleneRefChem:433185DTXCID40119786(naphthalen-1-yl)methanol;1-naphthylmethanol225-324-1

データベース識別子

CAS
4780-79-4
PubChem CID
20908
DTXSID
DTXSID30197295
ChEMBL
CHEMBL1288
ChEBI
CHEBI:38137
UNII
4L2MEJ1Q34
EC Number
225-324-1
Nikkaji
J215A

物性

構造計算による物性

XLogP
2.4
極性表面積
20.2 Ų
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
1
重原子数
12

実験および物理化学的性質

DrugsPharmaceuticals -> Metabolite of Terbinafine
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP2.37

物理化学的性質

融点
61 · 61-63 °C (lit.)
沸点
301 °C/715 · 301 °C/715 mmHg (lit.)
比重(密度)
1.1039 · 1.1039
屈折率
1.544 · 1.5440 (estimate)
闪点
301 °C/715mm · 301°C/715mm
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性yellowish fine crystalline 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information1-Naphthalenemethanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
2
rtecs
QJ8880000
hs_code
29062990
safety_code
24/25
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

Metabolism/Metabolites1-Nahthalenethanol is a known human metabolite of 1-Naphtaldehyde.
Cellular LocationsMembrane

用途と製造

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
応用分野 · 3 件

用途有機合成原料。

使用1-Naphthalenemethanol was used to investigate UV photooxidation of 1-methylnaphthalene in the presence of dry or humid air.

一般的な説明3′-Phosphoadenylyl sulfate dependent sulfation of 1-naphthalenemethanol catalyzed by isoenzyme of arylsulfotransferase has been studied. 1-Naphthalenemethanol is an intermediate photolysis product of 1-napthaleneacetic acid.

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

補足説明

定義ChEBI: A naphthylmethanol that is methanol in which one of the hydrogens of the methyl group is replaced by a naphthalen-1-yl group.

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