ChemicalBook--->CAS DataBase List--->4122-57-0

4122-57-0

4122-57-0 Structure

4122-57-0 Structure
IdentificationBack Directory
[Name]

3-Methoxy-1(3H)-isobenzofuranone
[CAS]

4122-57-0
[Synonyms]

3-Methoxyphthalide
3-Methoxyphthalide>
3-Methoxyisobenzofuran-1(3H)-one
3-Methoxy-1(3H)-isobenzofuranone
[Molecular Formula]

C9H8O3
[MOL File]

4122-57-0.mol
[Molecular Weight]

164.16
Chemical PropertiesBack Directory
[Melting point ]

45 °C
[Boiling point ]

146 °C / 12mmHg
[density ]

1.25±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

Off-White
[InChI]

InChI=1S/C9H8O3/c1-11-9-7-5-3-2-4-6(7)8(10)12-9/h2-5,9H,1H3
[InChIKey]

OIIJJGAFRGJQSQ-UHFFFAOYSA-N
[SMILES]

C1(=O)C2=C(C=CC=C2)C(OC)O1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2932990090
Hazard InformationBack Directory
[Uses]

3-Methoxyisobenzofuran-1(3H)-one acts as a reagent for the synthesis of vitamin K and related naphthoquinones via demethoxycarbonylative cyclization and cascade Cope-retro-Wittig rearrangement.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methoxy-1(3H)-isobenzofuranone(4122-57-0)MS
3-Methoxy-1(3H)-isobenzofuranone(4122-57-0)IR1
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