6-Methoxy-2,3-dihydro-1-benzofuran-3-one

HCID 585368

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Basic information

CAS: 15832-09-4
Standard SMILES: COc1ccc2c(c1)OCC2=O
InChIKey: BLLMRPOVMOPQKC-UHFFFAOYSA-N
Molecular formula: C9H8O3
Average molar mass: 164.16 g/mol
Monoisotopic mass: 164.04734412

Names & identifiers

Preferred name: 6-Methoxy-2,3-dihydro-1-benzofuran-3-one
IUPAC: 6-methoxy-1-benzofuran-3-one
English name: 6-Methoxy-3(2H)-benzofuranone
Molecular formula: C9H8O3
Molecular weight: 164.16

Names & synonyms

6-METHOXY-2,3-DIHYDRO-1-BENZOFURAN-3-ONERefChem:543593993-674-96-Methoxy-3(2H)-benzofuranone15832-09-46-METHOXYBENZOFURAN-3(2H)-ONE3(2H)-BENZOFURANONE, 6-METHOXY-6-Methoxy-3-Benzofuranone6-Methoxy-1-benzofuran-3(2H)-one6-methoxy-1-benzofuran-3-oneMFCD022576816-METHOXYBENZOFURAN-3-ONE

Show more names

6-Methoxy-3(2H)5-Fluoro-3-Benzofuranone6-METHOXY-2H-1-BENZOFURAN-3-ONE

6-METHOXY-BENZOFURAN-3-ONE6-methoxy-2-hydrobenzo[b]furan-3-one6-Methoxycoumaran-3-oneSCHEMBL68899SCHEMBL316897076-methoxy-benzofuran-3(2h)-oneDTXSID60342877TQP1518

Database identifiers

CAS: 15832-09-4
PubChem CID: 585368
DTXSID: DTXSID60342877
EC Number: 993-674-9
Nikkaji: J2.420.773K

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 190

Physicochemical properties

Melting point: 119 · 119-120 °C(Solv: ethanol (64-17-5))
Boiling point: 313 · 313.0±41.0 °C(Predicted)
Density: 1.262 · 1.262±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Light yellow to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.