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| CAS No.: | 17447-59-5 |
|---|---|
| Name: | diphenylmethyl 4-methylbenzenesulfinate |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C20H18O2S |
| Molecular Weight: | 322.428 |
| Synonyms: | p-Toluenesulfinicacid, diphenylmethyl ester (6CI,7CI,8CI);Benzhydrol, p-toluenesulfinate (8CI);NSC 150804;diphenylmethyl 4-methylbenzenesulfinate; |
| Density: | 1.24 g/cm3 |
| Boiling Point: | 485.6 °C at 760 mmHg |
| Flash Point: | 247.5 °C |
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Specification
The Benzenesulfinicacid, 4-methyl-, diphenylmethyl ester, with the CAS registry number 17447-59-5, has the systematic name of diphenylmethyl 4-methylbenzenesulfinate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C20H18O2S.
The characteristics of Benzenesulfinicacid, 4-methyl-, diphenylmethyl ester are as followings: (1)ACD/LogP: 4.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 45.51 Å2; (7)Index of Refraction: 1.661; (8)Molar Refractivity: 96.02 cm3; (9)Molar Volume: 259.5 cm3; (10)Polarizability: 38.06×10-24cm3; (11)Surface Tension: 59.5 dyne/cm; (12)Density: 1.24 g/cm3; (13)Flash Point: 247.5 °C; (14)Enthalpy of Vaporization: 72.25 kJ/mol; (15)Boiling Point: 485.6 °C at 760 mmHg; (16)Vapour Pressure: 4.12E-09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(OC(c1ccccc1)c2ccccc2)c3ccc(cc3)C
(2)InChI: InChI=1/C20H18O2S/c1-16-12-14-19(15-13-16)23(21)22-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3
(3)InChIKey: JMTJPCZXIPDWNM-UHFFFAOYAO