Methyl-1-hydroxy-2-naphthoat

2-Naphthalenecarboxylic acid, 1-hydroxy-, methyl ester

HCID 70358CAS 948-03-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COC(=O)c1ccc2ccccc2c1O
InChIKey: HMIBDRSTVGFJPB-UHFFFAOYSA-N
Summenformel: C12H10O3
Durchschnittliche Molmasse: 202,21 g/mol
Monoisotopische Masse: 202,06299418

Namen und Bezeichner

Bevorzugter Name: 2-Naphthalenecarboxylic acid, 1-hydroxy-, methyl ester
IUPAC: methyl 1-hydroxynaphthalene-2-carboxylate
Lokaler Name: Methyl-1-hydroxy-2-naphthoat
Englischer Name: Methyl 1-hydroxy-2-naphthoate
Summenformel: C12H10O3
Molmasse: 202.21

Namen und Synonyme

Methyl 1-hydroxy-2-naphthoate948-03-82-Naphthalenecarboxylic acid, 1-hydroxy-, methyl esterEINECS 213-434-2DTXSID8061341RefChem:476595DTXCID9048938213-434-2methyl 1-hydroxynaphthalene-2-carboxylateMFCD000438231-HYDROXY-2-NAPHTHOIC ACID METHYL ESTER1-Hydroxy-2-naphthoic acid, methyl ester

Weitere Namen anzeigen

AON METHYL ESTERRARECHEM AL BF 0359Methyl 1-hydroxy-2-naphthoate 98%1-HYDROXY-2-NAPTHOIC ACID METHYL ESTER1-hydroxy-2-naphthalenecarboxylicacimethylester1-hydroxynaphthalene-2-carboxylic acid methyl ester1-Hydroxy-2-naphthalenecarboxylic acid methyl ester

2-Naphthoic acid, 1-hydroxy-, methyl esterMethyl1-hydroxy-2-naphthoateSCHEMBL161927SCHEMBL2445411-Hydroxy-2-carbomethoxynaphthaleneAAA94803STL503159AKOS001443892

Datenbank-Bezeichner

CAS: 948-03-8
PubChem CID: 70358
DTXSID: DTXSID8061341
EC Number: 213-434-2
Nikkaji: J29.231A

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: 76 · 76-80 °C (lit.)
Siedepunkt: 330.5 · 330.5±15.0 °C(Predicted)
Dichte: 1.264 · 1.264±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 8.09 · 8.09±0.50(Predicted)
InChI: InChI=1S/C12H10O3/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-7,13H,1H3
InChIKey: HMIBDRSTVGFJPB-UHFFFAOYSA-N
SMILES: C1(O)=C2C(C=CC=C2)=CC=C1C(OC)=O
EPA chemische Informationen: 2 · 2-Naphthalenecarboxylic acid, 1-hydroxy-, methyl ester (948-03-8)

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

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 2918290090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Naphthalenecarboxylic acid, 1-hydroxy-, methyl ester: INACTIVE

Anwendungen · 1 Eintrag

VerwendenMethyl 1-hydroxy-2-naphthoate may be used as a starting reagent for the synthesis of axially chiral benzimidazole derivatives.It may also be employed in the synthesis of the following aza-mollugin derivatives: azamollugin2-desmethyl-azamollugin 2,2-didesmethyl-azamollugin