Methyl-3-hydroxy-2-naphthoat

Methyl 3-hydroxy-2-naphthoate

HCID 70163CAS 883-99-8

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Grundinformationen

Standard-SMILES: COC(=O)c1cc2ccccc2cc1O
InChIKey: YVVBECLPRBAATK-UHFFFAOYSA-N
Summenformel: C12H10O3
Durchschnittliche Molmasse: 202,21 g/mol
Monoisotopische Masse: 202,06299418

Namen und Bezeichner

Bevorzugter Name: Methyl 3-hydroxy-2-naphthoate
IUPAC: methyl 3-hydroxynaphthalene-2-carboxylate
Lokaler Name: Methyl-3-hydroxy-2-naphthoat
Englischer Name: Methyl 3-hydroxy-2-naphthoate
Summenformel: C12H10O3
Molmasse: 202.21

Namen und Synonyme

Methyl 3-hydroxy-2-naphthoate883-99-82-Naphthalenecarboxylic acid, 3-hydroxy-, methyl ester3-HYDROXY-2-NAPHTHOIC ACID METHYL ESTER2-Hydroxy-3-naphthoic acid methyl esterMethyl 2-hydroxy-3-naphthoateMethyl 3-hydroxy-2-naphthalenecarboxylate2-Naphthoic acid, 3-hydroxy-, methyl esterQCA37S018NEINECS 212-936-9NSC 25175NSC-25175

Weitere Namen anzeigen

METHYL B-HYDROXYNAPHTHOATEMethyl hydroxy-2-naphthoateMethyl-3-hydroxy-2-naphthoatMETHYL BETA-HYDROXYNAPHTHOATEMethyl3-Hydroxy-2-naphthoate>Methyl 3-hydroxy-2-naphthoate, 98+%beta-Hydroxynaphthoic acid methyl ester

3-carbomethoxy-2-naphthol3-(METHOXYCARBONYL)-2-NAPHTHOL3-Hydroxy-2-naphthalenecarboxylic acid methyl esterAI3-30205DTXSID8061260methyl 2-hydroxynaphthalene-3-carboxylateMETHYL 2-HYDROXY-3-NAPHTHOIC ACID2-HYDROXYNAPHTHALENE-3-CARBOXYLIC ACID METHYL ESTER

Datenbank-Bezeichner

CAS: 883-99-8
PubChem CID: 70163
DTXSID: DTXSID8061260
UNII: QCA37S018N
EC Number: 212-936-9
Nikkaji: J131.974D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 239

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 73 · 73-75 °C (lit.)
Siedepunkt: 205 · 205-207 °C (lit.)
Dichte: 1.1868 · 1.1868 (rough estimate)
Brechungsindex: 1.544 · 1.5440 (estimate)
Flammpunkt: 205 · 205-207°C/160mm
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: 9.36 · 9.36±0.40(Predicted)
Farbe: Light yellow to Yellow to Orange
BRN: 1074526 · 1074526
InChI: InChI=1S/C12H10O3/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7,13H,1H3
InChIKey: YVVBECLPRBAATK-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC=C2)=CC(O)=C1C(OC)=O
CAS Datenbank: 883 · 883-99-8(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Naphthalenecarboxylic acid, 3-hydroxy-, methyl ester (883-99-8)

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.