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16806-93-2

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Basic Information
CAS No.: 16806-93-2
Name: 6,7-Dihydro-4(5H)-benzofuranone
Article Data: 30
Molecular Structure:
Molecular Structure of 16806-93-2 (6,7-Dihydro-4(5H)-benzofuranone)
Formula: C8H8O2
Molecular Weight: 136.15
Synonyms: 4,5,6,7-Tetrahydro-4-oxobenzo[b]furan;4,5,6,7-Tetrahydro-4-oxobenzofuran;4,5,6,7-Tetrahydrobenzofuran-4-one;4-Oxo-4,5,6,7-tetrahydrobenzo[b]furan;4-Oxo-4,5,6,7-tetrahydrobenzofuran;6,7-Dihydro-1-benzofuran-4(5H)-one;6,7-Dihydro-5H-benzofuran-4-one;6,7-Dihydrobenzo[b]furan-4(5H)-one;6,7-Dihydrobenzofuran-4(5H)-one;
Density: 1.178 g/cm3
Melting Point: 30-34 °C(lit.)
Boiling Point: 229 °C at 760 mmHg
Flash Point: 97.8 °C
Appearance: clear yellow to brown low melting solid or liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 30.21000
LogP: 1.79860
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Chemistry


IUPAC Name: 6,7-Dihydro-5H-1-benzofuran-4-one 
Empirical Formula: C8H8O2
Molecular Weight: 136.1479
Canonical SMILES: C1CC2=C(C=CO2)C(=O)C1
InChI: InChI=1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
InChIKey: DXWQOYPYNPSVRL-UHFFFAOYSA-N
XLogP3-AA: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 2 
Index of Refraction: 1.525
Molar Refractivity: 35.46 cm3
Molar Volume: 115.5 cm3 
Surface Tension: 41.3 dyne/cm
Density: 1.178 g/cm3
Flash Point: 97.8 °C
Enthalpy of Vaporization: 46.56 kJ/mol
Boiling Point: 229 °C at 760 mmHg
Vapour Pressure: 0.0714 mmHg at 25 °C
Melting point: 30-34 °C 
Product Categories of 4(5H)-Benzofuranone,6,7-dihydro- (CAS NO.16806-93-2): Benzofurans; Building Blocks; Heterocyclic Building Blocks

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany of 4(5H)-Benzofuranone,6,7-dihydro- (CAS NO.16806-93-2): 3

Specification

 4(5H)-Benzofuranone,6,7-dihydro- (CAS NO.16806-93-2), its Synonyms are 6,7-Dihydro-4(5H)-benzofuranone, GC 98% ; 6,7-Dihydro-4(5H)-benzofuranone ; 2,3-Dihydro-4(5H)-benzofuranone . It is clear yellow to brown low melting solid or liquid.