2,6-Dihydroxynaphthalene (HCID 93552)

개요

2,6-Dihydroxynaphthalene is a member of naphthols.

이름 및 식별자

우선 이름: 2,6-Dihydroxynaphthalene
IUPAC: naphthalene-2,6-diol
영어명: 2,6-Naphthalenediol
분자식: C10H8O2
분자량: 160.17

이름 및 동의어

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

이름 더 보기

2,6-DONSBB00012937765_FLUKAZINC00074155275603_ALDRICH

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 140

실험 및 물리화학적 성질

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]-

물리화학적 성질

녹는점: 223 · 223-225 °C(lit.)
끓는 점: 246.06 °C · 246.06°C (rough estimate)
밀도: 1.0924 · 1.0924 (rough estimate)
굴절률: 1.5418 · 1.5418 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.55 · 9.55±0.40(Predicted)
색상: 흰색에서 황백색까지
수용성: 메탄올과 뜨거운 물에 용해됩니다. 물에 약간 용해됩니다.
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
NIST: 2 · 2,6-Dihydroxynaphthalene(581-43-1)
EPA: 2 · 2,6-Naphthalenediol (581-43-1)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 2
tsca: TSCA listed
HS 번호: 29309090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
F 고인화성물질: 10-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2,6-Naphthalenediol: ACTIVE

응용 분야 · 1건

용도2,6-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.