CAS 7169-37-1 7-Methoxybenzofuran-3(2H)-one (HCID 2818112)

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Basic information

CAS: 7169-37-1
Standard SMILES: COc1cccc2c1OCC2=O
InChIKey: QSJBSTJSAZCHSA-UHFFFAOYSA-N
Molecular formula: C9H8O3
Average molar mass: 164.16 g/mol
Monoisotopic mass: 164.04734412

Names & identifiers

Preferred name: 7-Methoxybenzofuran-3(2H)-one
IUPAC: 7-methoxy-1-benzofuran-3-one
English name: 7-Methoxy-3(2H)-benzofuranone
Molecular formula: C9H8O3
Molecular weight: 164.16

Names & synonyms

7-Methoxybenzofuran-3(2H)-one7169-37-17-Methoxy-3(2H)-benzofuranone7-methoxy-1-benzofuran-3-oneMFCD002742967-Methoxy-3-Benzofuranone7-METHOXYBENZOFURAN-3-ONE7-methoxy-3-(2H)-benzofuranone7-methoxy-1-benzofuran-3(2H)-one4-Fluoro-3-BenzofuranoneHMS553P037-methoxy-benzofuran-3 (2H)-one

Show more names

AKOS BC-10677-Methoxy-3(2H)-benzofuranone 98%7-Methoxy-3(2H)-benzofuranone ,98%

CCG-43119EN300-109203F139567-methoxy-benzofuran-3-one3(2H)-Benzofuranone, 7-methoxy-Maybridge1_004379FT-0636380SCHEMBL74333

Database identifiers

CAS: 7169-37-1
PubChem CID: 2818112
DTXSID: DTXSID40384735
EC Number: 139-771-4
Nikkaji: J637.544H

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: 82 · 82-86 °C (lit.)
Boiling point: 80 · 80-90℃ (12 Torr)
Density: 1.262 · 1.262±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
Appearance: Light yellow to yellow Solid
InChI: 1S/C9H8O3/c1-11-8-4-2-3-6-7(10)5-12-9(6)8/h2-4H,5H2,1H3
InChIKey: QSJBSTJSAZCHSA-UHFFFAOYSA-N
SMILES: COc1cccc2C(=O)COc12
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)

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

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29321900
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses7-Methoxy-3(2H)-Benzofuranone is a useful reactant for the synthesis of 2-(2-hydroxypropan-2-yl)benzofuran-3(2H)-ones using a basic Al2O3 catalyst.