Ethyl 7-methoxy-1-benzofuran-2-carboxylate

HCID 521284CAS 50551-58-1

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)c1cc2cccc(OC)c2o1
InChIKey: SXCMZYVXJUJIDJ-UHFFFAOYSA-N
Molecular formula: C12H12O4
Average molar mass: 220.22 g/mol
Monoisotopic mass: 220.07355886

Names & identifiers

Preferred name: Ethyl 7-methoxy-1-benzofuran-2-carboxylate
IUPAC: ethyl 7-methoxy-1-benzofuran-2-carboxylate
English name: Ethyl 7-methoxybenzofuran-2-carboxylate
Molecular formula: C12H12O4
Molecular weight: 220.22

Names & synonyms

50551-58-1Ethyl 7-methoxy-1-benzofuran-2-carboxylateDTXSID40334598RefChem:344650DTXCID50285688ethyl 7-methoxybenzofuran-2-carboxylateMFCD000605107-Methoxybenzofuran-2-carboxylic acid, ethyl ester7-Methoxybenzofuran-2-carboxylic acid ethyl esterSCHEMBL73410CHEMBL1092528ACA55158

Show more names

ethyle7-methoxybenzofuran-2-carboxylateEthyl 4-methoxylbenzofunan-2-carboxylateEthyl 7-methoxybenzofuran-2-carboxylate,97%ethyle7-methoxybenzofuran-2-carboxylate, 97%Ethyl 7-methoxybenzo[b]furan-2-carboxylate, 97%7-Methoxy-2-benzofurancarboxylic acid ethyl ester

2-ethoxycarbonyl-7-methoxybenzofuranSTK121473AKOS003664824CS-W010466Ethyl 7-methoxy-2-benzofurancarboxylateNCGC00320842-01AS-64334SY061780

Database identifiers

CAS: 50551-58-1
PubChem CID: 521284
DTXSID: DTXSID40334598
ChEMBL: CHEMBL1092528
EC Number: 674-162-1
Nikkaji: J1.417.471K

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: 85 · 85-90 °C
Boiling point: 316.2 · 316.2±22.0 °C(Predicted)
Density: 1.192 · 1.192±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
form: Crystals
color: Yellow
CAS DataBase Reference: 50551 · 50551-58-1(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 315 · H315-H318
Precautionary statements: 264 · P264-P280-P302+P352-P362+P364-P332+P313-P305+P351+P338+P310
Safety Statements: 24 · 24/25
HS Code: 29321900 · 29321900

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 29321900
Signal word: Danger
Symbol(GHS): GHS05
safety_code: 24/25
Hazard statements: H315-H318
Precautionary statements: P264-P280-P302+P352-P362+P364-P332+P313-P305+P351+P338+P310