4-Chloro-1-naphthol (HCID 11787)

概要

RN given refers to cpd with specified locants

名称と識別子

優先名称: 4-Chloro-1-naphthol
IUPAC: 4-chloronaphthalen-1-ol
現地名: 4-クロロ-1-ナフトール
英語名: 4-Chloro-1-naphthol
分子式: C10H7ClO
分子量: 178.62

名称と別名

4-CHLORO-1-NAPHTHOL604-44-41-Naphthalenol, 4-chloro-1-Naphthol, 4-chloro-4-chloro-1-naphthalenolNSC-44345P4NNY2FQ2ADTXSID3060536RefChem:520789DTXCID2042804210-068-54-chloronaphthalen-1-ol

名称をさらに表示

4-クロロ-1-ナフトール4-クロロナフタレン-1-オール4-クロロ-1-ナフトール [生化学用]4‐クロロ‐1‐ナフトール4C1N4CN PLUSNSC 443454C1N/4-CNCHLORONAPTHOLCHLORONAPHTHOLChloro-1-naphtholNaphthol Impurity

1-Chloro-4-hydroxynaphthalene4-Chloro-1-hydroxynaphthaleneMFCD000039744-chloronaphthol4-Chloro-.alpha.-naphthol4-CN4-chloro-naphthalen-1-olSCHEMBL3935

データベース識別子

CAS: 604-44-4
PubChem CID: 11787
DTXSID: DTXSID3060536
ChEMBL: CHEMBL3310663
UNII: P4NNY2FQ2A
EC Number: 210-068-5
Nikkaji: J95.406C

物性

構造計算による物性

XLogP: 3.9
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: 12
形式電荷: 0
複雑度: 160

実験および物理化学的性質

Chemical ClassesOther Classes -> Naphthols

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP4.1

Vapor Pressure0.0001 [mmHg]

Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 118 · 118-121 °C(lit.)
沸点: 254.41 °C · 254.41°C (rough estimate)
比重(密度): density
屈折率: 1.4575 · 1.4575 (estimate)
闪点: 73 °C · 73 °C
貯蔵温度: -20 °C · -20°C
溶解性: 50 mg/mL、透明、無色からごくわずかに黄色 · メタノール: 50 mg/mL、透明、無色からごくわずかに黄色
外見: 錠剤 (各 32 mg まで)
酸解離定数(Pka): 9.11 · 9.11±0.40(Predicted)
色: オフホワイトからグレー、ライトブラウン
BRN: 509750 · 509750
InChI: InChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
InChIKey: LVSPDZAGCBEQAV-UHFFFAOYSA-N
SMILES: C1(O)=C2C(C=CC=C2)=C(Cl)C=C1
CAS データベース: 604 · 604-44-4(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Naphthalenol, 4-chloro- (604-44-4)

化学的性質

化学的特性Off white to tan crystals

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 53 reports by companies from 8 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, 4-chloro-

1-Naphthalenol, 4-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1-Naphthol.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 8-9-23
wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 29081990
risk_code: 36/37/38-39/23/24/25-20/21/22
hazard_code: Xi,T
safety_code: 26-36-45-36/37
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, 4-chloro-: ACTIVE

応用分野 · 3 件

用途Peroxidaseの基質。

使用4-Chloro-1-naphthol has been used to visualize protein bands in western blotting. It has also been used in staining polyvinylidene fluoride (PVDF) membrane by Nakane method.

一般的な説明4-Chloro-1-naphthol is primarily used for the detection of proteins, it gives a characteristic purple precipitate and the reactions are easily controllable. It can be used as a substitute for benzidine compounds, which are considered to be carcinogenic.