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| CAS No.: | 2235-01-0 |
|---|---|
| Name: | BENZOPHENONE DIMETHYLKETAL |
| Molecular Structure: | |
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| Formula: | C15H16O2 |
| Molecular Weight: | 228.291 |
| Synonyms: | 1,1'-(Dimethoxymethylene)bisbenzene; |
| EINECS: | 218-788-1 |
| Density: | 1.059 g/cm3 |
| Melting Point: | 105-107°C |
| Boiling Point: | 290 °C at 760 mmHg |
| Flash Point: | 101.8 °C |
| Safety: | 22-24/25 |
| PSA: | 18.46000 |
| LogP: | 3.18050 |
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Specification
The Benzene,1,1'-(dimethoxymethylene)bis-, with the CAS registry number of 2235-01-0, is also known as 1,1'-(Dimethoxymethylene)bisbenzene. This chemical's molecular formula is C15H16O2 and molecular weight is 228.29. What's more, its IUPAC name is [Dimethoxy(phenyl)methyl]benzene.
Physical properties about the Benzene,1,1'-(dimethoxymethylene)bis- are: (1)ACD/LogP: 4.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.88; (4)ACD/LogD (pH 7.4): 4.88; (5)ACD/BCF (pH 5.5): 2999.72; (6)ACD/BCF (pH 7.4): 2999.72; (7)ACD/KOC (pH 5.5): 10727.26; (8)ACD/KOC (pH 7.4): 10727.26; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 67.89 cm3; (15)Molar Volume: 215.4 cm3; (16)Surface Tension: 36.3 dyne/cm; (17)Density: 1.059 g/cm3; (18)Flash Point: 101.8 °C; (19)Enthalpy of Vaporization: 50.81 kJ/mol; (20)Boiling Point: 290 °C at 760 mmHg; (21)Vapour Pressure: 0.0037 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(C)C(OC)(c1ccccc1)c2ccccc2
(2) InChI: InChI=1/C15H16O2/c1-16-15(17-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
(3) InChIKey: NYRVXYOKUZSUDA-UHFFFAOYAP