-
Name
5-ACETYL-2,3-DIHYDROBENZO(B)FURAN
- EINECS
- CAS No. 90843-31-5
- Article Data30
- CAS DataBase
- Density 1.149 g/cm3
- Solubility
- Melting Point 56-59 °C
- Formula C10H10O2
- Boiling Point 308.6 °C at 760 mmHg
- Molecular Weight 162.188
- Flash Point 149.3 °C
- Transport Information
- Appearance light yellow crystalline powder
- Safety 24/25
- Risk Codes 22-51
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms Ketone,2,3-dihydro-5-benzofuranyl methyl (6CI,7CI);1-(2,3-Dihydro-1-benzofuran-5-yl)ethanone;1-(2,3-Dihydro-5-benzofuranyl)ethanone;5-Acetyl-2,3-dihydrobenzo[b]furan;5-Acetyl-2,3-dihydrobenzofuran;
- PSA 26.30000
- LogP 1.82410
1-(2,3-Dihydrobenzo[b]furan-5-yl)ethan-1-one Specification
The Ethanone,1-(2,3-dihydro-5-benzofuranyl)-, with the CAS registry number 90843-31-5, has the systematic name of 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone.
The physical properties of this chemical are as follows: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.51; (6)ACD/BCF (pH 7.4): 12.51; (7)ACD/KOC (pH 5.5): 212.33; (8)ACD/KOC (pH 7.4): 212.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 ; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 45.44 cm3; (15)Molar Volume: 141 cm3; (16)Polarizability: 18.01 ×10-24 cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 149.3 °C; (20)Enthalpy of Vaporization: 54.93 kJ/mol; (21)Boiling Point: 308.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000674 mmHg at 25°C.
The production method of this chemical: 2,3-dihydro-benzofuran could react with acetyl chloride to produce Ethanone,1-(2,3-dihydro-5-benzofuranyl)-. This reaction could happen in the presence of the reagent of aluminium chloride and carbon disulfide.
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Use of this chemical: Ethanone,1-(2,3-dihydro-5-benzofuranyl)- could react with morpholine to produce 2-(2,3-dihydro-benzofuran-5-yl)-1-morpholin-4-yl-ethanethione. This reaction could happen in the presence of the reagent of sulfur, p-toluenesulfonic acid, and it needs the reaction time of 5 hours in the condition of heating.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(c2cc1c(OCC1)cc2)C
(2)InChI:InChI=1/C10H10O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6H,4-5H2,1H3
(3)InChIKey:MMVUJVASBDVNGJ-UHFFFAOYAD
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