Benzenesulfinicacid, 4-methyl-, diphenylmethyl ester supplier

Name
diphenylmethyl 4-methylbenzenesulfinate
EINECS
CAS No. 17447-59-5
Article Data5
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₂₀H₁₈O₂S
Boiling Point 485.6 °C at 760 mmHg
Molecular Weight 322.428
Flash Point 247.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Toluenesulfinicacid, diphenylmethyl ester (6CI,7CI,8CI);Benzhydrol, p-toluenesulfinate (8CI);NSC 150804;diphenylmethyl 4-methylbenzenesulfinate;
PSA
LogP

Benzenesulfinicacid, 4-methyl-, diphenylmethyl ester 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

Product Name

diphenylmethyl 4-methylbenzenesulfinate

Benzenesulfinicacid, 4-methyl-, diphenylmethyl ester Specification

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