5-Methoxy-1,3-dihydro-2-benzofuran-1,3-dione

HCID 639748

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Basic information

CAS: 28281-76-7
Standard SMILES: COc1ccc2c(c1)C(=O)OC2=O
InChIKey: INEIVXABODMRMQ-UHFFFAOYSA-N
Molecular formula: C9H6O4
Average molar mass: 178.14 g/mol
Monoisotopic mass: 178.02660867

Names & identifiers

Preferred name: 5-Methoxy-1,3-dihydro-2-benzofuran-1,3-dione
IUPAC: 5-methoxy-2-benzofuran-1,3-dione
English name: 5-Methoxy-isobenzofuran-1,3-dione
Molecular formula: C9H6O4
Molecular weight: 178.14

Names & synonyms

5-methoxy-1,3-dihydro-2-benzofuran-1,3-dione4-methoxyphthalic anhydrideRefChem:536562861-499-65-methoxyisobenzofuran-1,3-dione28281-76-75-Methoxy-isobenzofuran-1,3-dione5-methoxy-2-benzofuran-1,3-dione1,3-isobenzofurandione, 5-methoxy-MFCD026709425-methoxyphthalic anhydrideSCHEMBL383503

Show more names

5-Methoxy-isobenzofuran-15-Methoxy-1,3-isobenzofurandioneMETHYL N-(DIPHENYLMETHYLENE)-L-SERINATE

orb3022771DTXSID30348669TPL0247INEIVXABODMRMQ-UHFFFAOYSA-N5-Methoxy isobenzofuran-1,3-dioneSBB067155AKOS000278088CS-W019718

Database identifiers

CAS: 28281-76-7
PubChem CID: 639748
DTXSID: DTXSID30348669
EC Number: 861-499-6

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 248

Physicochemical properties

Melting point: 98 · 98-99 °C(Solv: acetic acid (64-19-7))
Boiling point: 348.6 · 348.6±25.0 °C(Predicted)
Density: 1.407 · 1.407±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses5-Methoxyisobenzofuran-1,3-dione is used as a reagent in the synthesis of basic ethers of 1,2-dihydropyrrolo[1,2-α]indole, 6H-isoindolo[2,1-α]indole, and 6H-benz[5,6]isoindolo[2,1-α]indole which display antiproliferative activity.