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Name |
7-Acetyl-2,3-dihydrobenzofuran |
EINECS | N/A |
CAS No. | 170730-06-0 | Density | 1.149 g/cm3 |
PSA | 26.30000 | LogP | 1.82410 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10O2 | Boiling Point | 294.989 °C at 760 mmHg |
Molecular Weight | 162.18 | Flash Point | 139.685 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-Acetyl-2,3-dihydrobenzofuran;1-(2,3-Dihydro-7-benzofuranyl)ethanone;1-(2,3-Dihydro-benzofuran-7-yl)-ethanone; |
Article Data | 3 |
The systematic name of 7-Acetyl-2,3-dihydrobenzofuran is 1-(2,3-dihydro-1-benzofuran-7-yl)ethanone. With the CAS registry number 170730-06-0, it is also named as Ethanone,1-(2,3-dihydro-7-benzofuranyl)-. The product's category is Acetyl Group. In addition, its molecular formula is C10H10O2 and molecular weight is 162.18.
The other characteristics of 7-Acetyl-2,3-dihydrobenzofuran can be summarized as: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 253; (8)ACD/KOC (pH 7.4): 253; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 45.449 cm3; (15)Molar Volume: 141.098 cm3; (16)Polarizability: 18.017×10-24cm3; (17)Surface Tension: 43.926 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 139.685 °C; (20)Enthalpy of Vaporization: 53.467 kJ/mol; (21)Boiling Point: 294.989 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.
Preparation of 7-Acetyl-2,3-dihydrobenzofuran: this chemical can be prepared by the reaction of 2,3-dihydro-benzofuran-7-carboxylic acid with methyllithium.
This reaction needs diethyl ether at ambient temperature for 18 hours. The yield is 76 %.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(c2cccc1c2OCC1)C
(2)InChI: InChI=1/C10H10O2/c1-7(11)9-4-2-3-8-5-6-12-10(8)9/h2-4H,5-6H2,1H3
(3)InChIKey: MSFONFAIHVPZHN-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H10O2/c1-7(11)9-4-2-3-8-5-6-12-10(8)9/h2-4H,5-6H2,1H3
(5)Std. InChIKey: MSFONFAIHVPZHN-UHFFFAOYSA-N