Naphthalin-2,6-diol

2,6-Dihydroxynaphthalene

HCID 93552CAS 581-43-1

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Grundinformationen

Standard-SMILES: Oc1ccc2cc(O)ccc2c1
InChIKey: MNZMMCVIXORAQL-UHFFFAOYSA-N
Summenformel: C10H8O2
Durchschnittliche Molmasse: 160,17 g/mol
Monoisotopische Masse: 160,0524295

Überblick

2,6-Dihydroxynaphthalene is a member of naphthols.

Namen und Bezeichner

Bevorzugter Name: 2,6-Dihydroxynaphthalene
IUPAC: naphthalene-2,6-diol
Lokaler Name: Naphthalin-2,6-diol
Englischer Name: 2,6-Naphthalenediol
Summenformel: C10H8O2
Molmasse: 160.17

Namen und Synonyme

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

Weitere Namen anzeigen

2,6-DONSBB00012937765_FLUKAZINC00074155275603_ALDRICH

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 140

Experimentelle und physikochemische Eigenschaften

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]-

Physikochemische Eigenschaften

Schmelzpunkt: 223 · 223-225 °C(lit.)
Siedepunkt: 246.06 °C · 246.06°C (rough estimate)
Dichte: 1.0924 · 1.0924 (rough estimate)
Brechungsindex: 1.5418 · 1.5418 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 9.55 · 9.55±0.40(Predicted)
Farbe: White to Off-White
Wasserlöslichkeit: Soluble in methanol and hot water. Slightly soluble in water.
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 Datenbank: 581 · 581-43-1(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,6-Dihydroxynaphthalene(581-43-1)
EPA chemische Informationen: 2 · 2,6-Naphthalenediol (581-43-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

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

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2,6-Naphthalenediol: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2,6-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.