ChemicalBook--->CAS DataBase List--->948-03-8

948-03-8

948-03-8 Structure

948-03-8 Structure
IdentificationBack Directory
[Name]

METHYL 1-HYDROXY-2-NAPHTHOATE
[CAS]

948-03-8
[Synonyms]

AON METHYL ESTER
RARECHEM AL BF 0359
METHYL 1-HYDROXY-2-NAPHTHOATE
Methyl 1-hydroxy-2-naphthoate 98%
1-HYDROXY-2-NAPTHOIC ACID METHYL ESTER
1-HYDROXY-2-NAPHTHOIC ACID METHYL ESTER
methyl 1-hydroxynaphthalene-2-carboxylate
1-hydroxy-2-naphthalenecarboxylicacimethylester
1-Hydroxy-2-naphthalenecarboxylic acid methyl ester
1-hydroxynaphthalene-2-carboxylic acid methyl ester
2-Naphthalenecarboxylic acid, 1-hydroxy-, Methyl ester
[EINECS(EC#)]

213-434-2
[Molecular Formula]

C12H10O3
[MDL Number]

MFCD00043823
[MOL File]

948-03-8.mol
[Molecular Weight]

202.21
Chemical PropertiesBack Directory
[Melting point ]

76-80 °C(lit.)
[Boiling point ]

330.5±15.0 °C(Predicted)
[density ]

1.264±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[pka]

8.09±0.50(Predicted)
[Appearance]

White to off-white Solid
[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 Substance Registry System]

2-Naphthalenecarboxylic acid, 1-hydroxy-, methyl ester (948-03-8)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

2918290090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Methyl 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:
  • azamollugin
  • 2-desmethyl-azamollugin
  • 2,2-didesmethyl-azamollugin
[General Description]

The asymmetric unit of the crystal of methyl 1-hydroxy-2-naphthoate contains two independent planar molecules that exhibit intra-molecular hydrogen bonds. Methyl 1-hydroxy-2-naphthoate can be prepared from 1-hydroxy-2-naphthoic acid, via esterification.
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 1-HYDROXY-2-NAPHTHOATE(948-03-8)MS
METHYL 1-HYDROXY-2-NAPHTHOATE(948-03-8)1HNMR
METHYL 1-HYDROXY-2-NAPHTHOATE(948-03-8)IR1
METHYL 1-HYDROXY-2-NAPHTHOATE(948-03-8)IR2
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