Phthalide

ISO 17034:
Catalog Number : CS-T-60556
CAS Number : 87-41-2
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What is the Chemical Information of Phthalide?

Chemical Name : Phthalide
Category : Fine Chemicals
Purity : Not less than 90%
Molecular Weight : 134.13 mol/g
Molecular Formula : C₈H₆O₂
Application : Phthalide may be used in scaffolds for the design of high potency monoamine oxidase (MAO) inhibitors.

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Hazardous Compound : No

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References : Li, P.Z., et. al.: Med. Chem. Res., 23, 3624 (2014)
Canonical SMILES : C1C2=CC=CC=C2C(=O)O1
Isomeric SMILES : C1C2=CC=CC=C2C(=O)O1
InChI : InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
InchIKey : WNZQDUSMALZDQF-UHFFFAOYSA-N
IUPAC Name : 3H-2-benzofuran-1-one
Exact Mass : 134.036779430
Melting Point : 75.0 °C
Boiling Point : 290.0 °C
Chemical Classes : Other Classes -> Esters, Other
Use Classification : Food additives -> Flavoring Agents
Hazard Class : Eye Irrit. 2 (100%)
Description : 2-benzofuran-1(3H)-one is a gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group. It is a gamma-lactone and a member of 2-benzofurans.
EC Number : 201-744-0
Vapor Pressure : 0.00 mmHg