Methyl 2-hydroxy-1-naphthoate

HCID 598533CAS 947-65-9

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1c(O)ccc2ccccc12
InChIKey: LEENMPKUUNPLHM-UHFFFAOYSA-N
Molecular formula: C12H10O3
Average molar mass: 202.21 g/mol
Monoisotopic mass: 202.06299418

Names & identifiers

Preferred name: Methyl 2-hydroxy-1-naphthoate
IUPAC: methyl 2-hydroxynaphthalene-1-carboxylate
English name: METHYL 2-HYDROXY-1-NAPHTHOATE
Molecular formula: C12H10O3
Molecular weight: 202.21

Names & synonyms

Methyl 2-hydroxy-1-naphthoate947-65-9DTXSID80344651RefChem:1089330DTXCID90295726methyl 2-hydroxynaphthalene-1-carboxylateMethyl-2-hydroxy-1-naphthalene carboxylateMFCD004541462-Hydroxy-1-naphthoic acid methyl ester2-Hydroxynaphthalene-1-carboxylic acid methyl ester1-Naphthalenecarboxylic acid, 2-hydroxy-, methyl esterOprea1_467520

Show more names

METHYL 2-HYDROXY-1-PHTHOATE2-Hydroxymethyl 1-naphthoic acidMethyl 3,4-dihydro-2-hydroxy-1-naphthoate

2-hydroxy-1-naphthalenecarboxylic acid methyl esterSCHEMBL1638703RARECHEM AL BF 0092Methyl 2-hydroxy-1-naphthoate #2-Hydroxy-1-naphthoate methyl estermethyl 2-hydroxynaphthalenecarboxylateAKOS0029452922-Hydroxy-naphthoic acid, methyl ester

Database identifiers

CAS: 947-65-9
PubChem CID: 598533
DTXSID: DTXSID80344651
EC Number: 677-437-4
Nikkaji: J45.877E

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 239

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 79 · 79-81°C
Boiling point: 330.5 · 330.5±15.0 °C(Predicted)
Density: 1.264 · 1.264±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 8.02 · 8.02±0.50(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 947 · 947-65-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2922210060 · 2922210060

Safety & regulation

GHS classification

GHS Classification · 4 items

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.