2-Benzofurancarboxylic acid, 5-methoxy-, ethyl ester

HCID 521283CAS 50551-56-9

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Basic information

Standard SMILES: CCOC(=O)c1cc2cc(OC)ccc2o1
InChIKey: IJCODAOXFYTGBS-UHFFFAOYSA-N
Molecular formula: C12H12O4
Average molar mass: 220.22 g/mol
Monoisotopic mass: 220.07355886

Names & identifiers

Preferred name: 2-Benzofurancarboxylic acid, 5-methoxy-, ethyl ester
IUPAC: ethyl 5-methoxy-1-benzofuran-2-carboxylate
English name: 5-Methoxybenzofuran-2-carboxylic acid, ethyl ester
Molecular formula: C12H12O4
Molecular weight: 220.22

Names & synonyms

50551-56-9Ethyl 5-methoxy-2-benzofurancarboxylateBRN 01781032-Benzofurancarboxylic acid, 5-methoxy-, ethyl esterDTXSID501985874-18-00-04904 (Beilstein Handbook Reference)RefChem:465548DTXCID101210785-Methoxybenzofuran-2-carboxylic acid, ethyl esterethyl 5-methoxybenzofuran-2-carboxylateEthyl 5-methoxy-1-benzofuran-2-carboxylate5-methoxybenzofuran-2-carboxylic acid,ethyl ester

Show more names

5-methoxy-2-benzofurancarboxylicaciethylester5-methoxy-2-benzofurancarboxylic acid ethyl ester5-methoxy-2-Benzofurancarboxylic acid ethyl ester (9CI ACI)5-METHOXYBENZOFURAN-2-CARBOXYLIC ACID, ETHYL ESTER(WXG00889)2-Benzofurancarboxylic acid, 5-methoxy-, ethyl ester (9CI, ACI)

MFCD00079772Ethyl 5-methoxybenzofuran carboxylateFS-5090Y147055-methoxybenzofuran-2-carboxylic acid ethyl esterSCHEMBL6486215-Methoxybenzo[b]furan-2-carboxylic acid,ethyl esterSCHEMBL6867907

Database identifiers

CAS: 50551-56-9
PubChem CID: 521283
DTXSID: DTXSID50198587
ChEMBL: CHEMBL3415231
EC Number: 674-149-0

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 48.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 253

Physicochemical properties

Melting point: 59 °C · 59 °C
Boiling point: 316.2 · 316.2±22.0 °C(Predicted)
Density: 1.192 · 1.192±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362