2,6-Dihydroxynaphthalene (HCID 93552)

概要

2,6-Dihydroxynaphthalene is a member of naphthols.

名称と識別子

優先名称: 2,6-Dihydroxynaphthalene
IUPAC: naphthalene-2,6-diol
現地名: 2,6-ジヒドロキシナフタレン
英語名: 2,6-Naphthalenediol
分子式: C10H8O2
分子量: 160.17

名称と別名

2,6-Dihydroxynaphthalene2,6-Naphthalenediol581-43-12-Hydroxy-6-naphthol2,6-NaphthohydroquinoneNSC-626874XX2ND0257DTXSID7060384RefChem:83254DTXCID1042318209-465-6Naphthalene-2,6-diol

名称をさらに表示

2,6-ジヒドロキシナフタレン2,6-ナフタレンジオールナフタレン-2,6-ジオール2，6ジヒドロキシナフタレン2,6-DONSBB00012937765_FLUKAZINC00074155275603_ALDRICH

MFCD000040822,6-dihydroxy naphthaleneUNII-4XX2ND02572,6-NaphthalindiolC.I. 76640NSC62687NSC 626872,6-dihydroxy-naphthalene

データベース識別子

CAS: 581-43-1
PubChem CID: 93552
DTXSID: DTXSID7060384
ChEMBL: CHEMBL205074
ChEBI: CHEBI:197110
UNII: 4XX2ND0257
EC Number: 209-465-6
Nikkaji: J70.177G

物性

構造計算による物性

XLogP: 2.3
極性表面積: 40.5 Å²
水素結合供与体数: 2
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: 140

実験および物理化学的性質

Chemical ClassesOther Classes -> Naphthols

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP1.9

Vapor Pressure0.00000715 [mmHg]

Physical DescriptionBeige crystalline solid; [Aldrich MSDS]

Collision Cross Section137 Å² [M-H]-

物理化学的性質

融点: 223 · 223-225 °C(lit.)
沸点: 246.06 °C · 246.06°C (rough estimate)
比重(密度): 1.0924 · 1.0924 (rough estimate)
屈折率: 1.5418 · 1.5418 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 9.55 · 9.55±0.40(Predicted)
色: ホワイトからオフホワイト
水溶解度: メタノール、熱水に可溶。水にわずかに溶ける。
BRN: 1238082 · 1238082
InChI: 1S/C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H
InChIKey: MNZMMCVIXORAQL-UHFFFAOYSA-N
SMILES: Oc1ccc2cc(O)ccc2c1
CAS データベース: 581 · 581-43-1(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,6-Dihydroxynaphthalene(581-43-1)
EPAの化学物質情報: 2 · 2,6-Naphthalenediol (581-43-1)

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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryAn irritant; [Aldrich MSDS] See 1-Napththol and 2-Naphthol. See 2,7-Naphthalenediol.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 10-23
wgk: 2
tsca: TSCA listed
hs_code: 29309090
risk_code: 36/37/38
化審法: (4)-356
hazard_code: Xi
safety_code: 26-37/39
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 Information2,6-Naphthalenediol: ACTIVE

応用分野 · 1 件

使用2,6-Dihydroxynaphthalene is used in the preparation of 1,5-dichloro-2,6-diethynylnaphthalenes. It is used to produce convulsions in mice. It exhibits antiproliferative activity towards certain cells. It is also employed in the preparation of the first-generation rotaxane dendrimer. Further, it is used in the production of several dyes, pigments, fluorescent whiteners, tanning agents, antioxidants and antiseptics. In addition to this, it is converted into amines, esters, ethers and carboxylic derivatives.