476773
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
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Product Name
6,7-Dihydro-4(5H)-benzofuranone, 98%
assay
98%
InChI
1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
SMILES string
O=C1CCCc2occc12
InChI key
DXWQOYPYNPSVRL-UHFFFAOYSA-N
bp
115-118 °C/16 mmHg (lit.)
mp
30-34 °C (lit.)
density
1.162 g/mL at 25 °C (lit.)
Application
6,7-Dihydro-4(5H)-benzofuranone may be used in the synthesis of furacridone ring skeleton.
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.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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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)
Experimental and computational thermochemistry of 6,7-dihydro-4 (5H)-benzofuranone.
Sousa CCS, et al.
The Journal of Chemical Thermodynamics, 56, 83-88 (2013)
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