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Merck
CN

476773

Sigma-Aldrich

6,7-Dihydro-4(5H)-benzofuranone

98%

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About This Item

Empirical Formula (Hill Notation):
C8H8O2
CAS Number:
Molecular Weight:
136.15
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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Assay

98%

bp

115-118 °C/16 mmHg (lit.)

mp

30-34 °C (lit.)

density

1.162 g/mL at 25 °C (lit.)

SMILES string

O=C1CCCc2occc12

InChI

1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2

InChI key

DXWQOYPYNPSVRL-UHFFFAOYSA-N

General description

6,7-Dihydro-4(5H)-benzofuranone is a benzofuran derivative that consists of fused benzene and furan ring. Its standard molar enthalpy of formation by static bomb calorimetry and standard molar enthalpy of vaporization using Calvet microcalorimetry has been measured. These values have been used to derive the standard molar enthalpy of formation in gaseous phase.

Application

6,7-Dihydro-4(5H)-benzofuranone may be used in the synthesis of furacridone ring skeleton.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Experimental and computational thermochemistry of 6,7-dihydro-4 (5H)-benzofuranone.
Sousa CCS, et al.
The Journal of Chemical Thermodynamics, 56, 83-88 (2013)
Chemistry of 2H-3,1-benzoxazine-2, 4 (1H)-dione (isatoic anhydride). 16. Facile construction of the furacridone ring system.
Coppola GM.
Journal of Heterocyclic Chemistry, 21(5), 1569-1570 (1984)

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