CAS No.3699-01-2,4-METHYLDIPHENYL SULFIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3699-01-2
Name:	4-METHYLDIPHENYL SULFIDE
Article Data:	268

Formula:	C₁₃H₁₂S
Molecular Weight:	200.304
Synonyms:	Sulfide,phenyl p-tolyl (6CI,7CI,8CI);1-Methyl-4-(phenylthio)benzene;Phenyl 4-methylphenyl sulfide;Phenyl 4-tolyl sulfide;Phenylp-tolyl sulfide;p-Methyldiphenyl sulfide;p-Methylphenyl phenyl sulfide;p-Tolyl phenyl sulfide;
Density:	1.1 g/cm³
Melting Point:	16 °C
Boiling Point:	317.6 °C at 760 mmHg
Flash Point:	141 °C
Hazard Symbols:	Xn
PSA:	25.30000
LogP:	4.14620

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Specification

The CAS register number of 4-Methyldiphenyl sulfide is 3699-01-2. It also can be called as Benzene, 1-methyl-4-(phenylthio)- and the IUPAC name about this chemical is 1-methyl-4-phenylsulfanylbenzene. The molecular formula about this chemical is C₁₃H₁₂S and molecular weight is 200.30.

Physical properties about 4-Methyldiphenyl sulfide are: (1)ACD/LogP: 4.91; (2)ACD/LogD (pH 5.5): 4.91; (3)ACD/LogD (pH 7.4): 4.91; (4)ACD/BCF (pH 5.5): 3174.37; (5)ACD/BCF (pH 7.4): 3174.37; (6)ACD/KOC (pH 5.5): 11170.71; (7)ACD/KOC (pH 7.4): 11170.71; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 25.3Å²; (10)Index of Refraction: 1.628; (11)Molar Refractivity: 64.09 cm³; (12)Molar Volume: 180.5 cm³; (13)Polarizability: 25.41x10^-24cm³; (14)Surface Tension: 45.1 dyne/cm; (15)Flash Point: 141 °C; (16)Enthalpy of Vaporization: 53.67 kJ/mol; (17)Boiling Point: 317.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00071 mmHg at 25°C.

Preparation: this chemical can be prepared by S-phenyl-S-(p-tolyl)sulfilimine. This reaction will need solvent neat (no solvent). The reaction temperature is 150 °C. The yield is about 78%.

Uses of 4-Methyldiphenyl sulfide: it can be used to produce 1-benzenesulfinyl-4-methyl-benzene. This reaction will need reagent aqueous H₂O₂, ethanol and H₂SO₄.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ccccc1)c2ccc(cc2)C
(2)InChI: InChI=1/C13H12S/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10H,1H3
(3)InChIKey: CPZFPNKPHBCUOB-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H12S/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10H,1H3
(5)Std. InChIKey: CPZFPNKPHBCUOB-UHFFFAOYSA-N