4-Chlor-1-naphthol

4-Chloro-1-naphthol

HCID 11787CAS 604-44-4

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Grundinformationen

Standard-SMILES: Oc1ccc(Cl)c2ccccc12
InChIKey: LVSPDZAGCBEQAV-UHFFFAOYSA-N
Summenformel: C10H7ClO
Durchschnittliche Molmasse: 178,61 g/mol
Monoisotopische Masse: 178,01854252

Überblick

RN given refers to cpd with specified locants

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-1-naphthol
IUPAC: 4-chloronaphthalen-1-ol
Lokaler Name: 4-Chlor-1-naphthol
Englischer Name: 4-Chloro-1-naphthol
Summenformel: C10H7ClO
Molmasse: 178.62

Namen und Synonyme

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

Weitere Namen anzeigen

4C1N4CN PLUSNSC 443454C1N/4-CNCHLORONAPTHOLCHLORONAPHTHOLChloro-1-naphtholNaphthol Impurity

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 160

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Naphthols

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP4.1

Vapor Pressure0.0001 [mmHg]

Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 118 · 118-121 °C(lit.)
Siedepunkt: 254.41 °C · 254.41°C (rough estimate)
Dichte: density
Brechungsindex: 1.4575 · 1.4575 (estimate)
Flammpunkt: 73 °C · 73 °C
storage temp.: -20 °C · -20°C
Löslichkeit: 50 mg/mL, · methanol: 50 mg/mL, clear, colorless to very faintly yellow
Aggregatzustand: tablets (~32 mg each)
pka: 9.11 · 9.11±0.40(Predicted)
Farbe: Off-white to gray to light brown
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 Datenbank: 604 · 604-44-4(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Naphthalenol, 4-chloro- (604-44-4)

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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheitsdaten

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
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Naphthalenol, 4-chloro-: ACTIVE

Anwendungen

Verwenden4-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.