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2H-Benzofuran-3-one

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Name

2H-Benzofuran-3-one

EINECS -0
CAS No. 7169-34-8 Density 1.265 g/cm3
PSA 26.30000 LogP 1.26170
Solubility Slightly miscible with water. Melting Point 101-103 °C
Formula C8H6O2 Boiling Point 249.643 °C at 760 mmHg
Molecular Weight 134.134 Flash Point 118.944 °C
Transport Information N/A Appearance white to light yellow crystal powde
Safety 22-24/25-36/37/39-26 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 7169-34-8 (3-COUMARANONE) Hazard Symbols Xi,Xn
Synonyms

1-Benzofuran-3(2H)-one;2,3-Dihydro-1-benzofuran-3-one;2,3-Dihydro-3-oxobenzofuran;2,3-Dihydrobenzofuran-3-one;Benzo[b]furan-3(2H)-one;Benzofran-3-one;Benzofuran-3(2H)-one;Coumaran-3-one;Coumaranone;NSC 512726;b-Coumaranone;

Article Data 11

2H-Benzofuran-3-one Specification

The 2H-Benzofuran-3-one with the CAS number 7169-34-8 is also called 3(2H)-Benzofuranone. The IUPAC name is 1-benzofuran-3-one. Its molecular formula is C8H6O2. This chemical belongs to the following product categories: (1)pharmacetical; (2)Furan&Benzofuran; (3)Fused Ring Systems. It is senstive to light.

The properties of the chemical are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.427; (4)ACD/LogD (pH 7.4): 1.427; (5)ACD/BCF (pH 5.5): 7.15; (6)ACD/BCF (pH 7.4): 7.15; (7)ACD/KOC (pH 5.5): 142.274; (8)ACD/KOC (pH 7.4): 142.274; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 35.551 cm3; (15)Molar Volume: 106.065 cm3; (16)Polarizability: 14.094×10-24cm3; (17)Surface Tension: 47.165 dyne/cm; (18)Enthalpy of Vaporization: 48.688 kJ/mol; (19)Vapour Pressure: 0.023 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Then you should wear suitable protective clothing, gloves and eye/face protection. Finally, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C(=O)CO2
(2)InChI: InChI=1/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
(3)InChIKey: MGKPCLNUSDGXGT-UHFFFAOYAB

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