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CAS No.: | 882-59-7 |
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Name: | 2,2-DIPHENYLOXIRANE |
Article Data: | 85 |
Molecular Structure: | |
Formula: | C14H12O |
Molecular Weight: | 196.249 |
Synonyms: | Ethane,1,2-epoxy-1,1-diphenyl- (6CI,7CI,8CI);1,1-Diphenylethene oxide;1,1-Diphenylethylene oxide;2,2-Diphenyloxirane;a-Phenylstyrene oxide; |
EINECS: | 212-929-0 |
Density: | 1.147 g/cm3 |
Melting Point: | 54-56°C |
Boiling Point: | 305 °C at 760 mmHg |
Flash Point: | 133.7 °C |
Hazard Symbols: | F |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 12.53000 |
LogP: | 2.96040 |
This chemical is called 2,2-Diphenyloxirane, and it can also be named as Oxirane, 2,2-diphenyl-. With the molecular formula of C14H12O, its molecular weight is 196.24. The CAS registry number of this chemical is 882-59-7.
Other characteristics of the 2,2-Diphenyloxirane can be summarised as followings: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 138.91; (6)ACD/BCF (pH 7.4): 138.91; (7)ACD/KOC (pH 5.5): 1189.54; (8)ACD/KOC (pH 7.4): 1189.54; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.53 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 59.62 cm3; (15)Molar Volume: 171 cm3; (16)Polarizability: 23.63×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.147 g/cm3; (19)Flash Point: 133.7 °C; (20)Enthalpy of Vaporization: 52.37 kJ/mol; (21)Boiling Point: 305 °C at 760 mmHg; (22)Vapour Pressure: 0.00152 mmHg at 25°C.
Production method of this chemical: The 2,2-Diphenyloxirane could be obtained by the reactant of 1,1-diphenyl-ethene. This reaction needs the reagent of dimethyldioξrane, and the solvent of acetone. The yield is 100 %. In addition, this reaction should be taken for 40 minutes at the ambient temperature.
Uses of this chemical: The 2,2-diphenyl-ethanol could be obtained by the reactant of 2,2-Diphenyloxirane. This reaction needs the reagents of Et3N, NaBH4, and the solvent of acetonitrile, H2O. The yield is 91 %. This reaction should be taken with the irradiation.
When you are using this chemical, please be cautious about it as the following:This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.Canonical SMILES: C1C(O1)(C2=CC=CC=C2)C3=CC=CC=C3
2.InChI: InChI=1S/C14H12O/c1-3-7-12(8-4-1)14(11-15-14)13-9-5-2-6-10-13/h1-10H,11H2