CAS No.4957-14-6,DI-P-TOLYLMETHANE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4957-14-6
Name:	DI-P-TOLYLMETHANE
Article Data:	95

Formula:	C₁₅H₁₆
Molecular Weight:	196.292
Synonyms:	Benzene,1,1'-methylenebis[4-methyl- (9CI);Methane, di-p-tolyl- (6CI,8CI);4,4'-Dimethyldiphenylmethane;4,4'-Ditolylmethane;Bis(4-methylphenyl)methane;Bis(4-tolyl)methane;Bis(p-tolyl)methane;Di(p-methylphenyl)methane;Di-p-tolylmethane;NSC 93789;p,p'-Ditolylmethane;p-(4-Methylbenzyl)toluene;p-(p-Methylbenzyl)toluene;
Density:	0.974 g/cm³
Melting Point:	29°C
Boiling Point:	286 °C at 760 mmHg
Flash Point:	135.2 °C
PSA:	0.00000
LogP:	3.89420

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Specification

The Benzene, 1-methyl-4-[(4-methylphenyl)methyl]-, with the CAS registry number 4957-14-6, is also known as Di(p-tolyl)methane. It belongs to the product category of Industrial / Fine Chemicals. This chemical's molecular formula is C₁₅H₁₆ and molecular weight is 196.29. What's more, its IUPAC name is 1-Methyl-4-[(4-methylphenyl)methyl]benzene. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be kept away from light. Besides, it should be storage and transportation according to regulations of inflammable toxic substances. And you should ensure the work place is well-ventilated.

Physical properties about Benzene, 1-methyl-4-[(4-methylphenyl)methyl]- are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.13; (4)ACD/LogD (pH 7.4): 5.13; (5)ACD/BCF (pH 5.5): 4641.53; (6)ACD/BCF (pH 7.4): 4641.53; (7)ACD/KOC (pH 5.5): 14661.86; (8)ACD/KOC (pH 7.4): 14661.86; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 65.21 cm³; (15)Molar Volume: 201.3 cm³; (16)Polarizability: 25.85×10^-24 cm³; (17)Surface Tension: 36 dyne/cm; (18)Density: 0.974 g/cm³; (19)Flash Point: 135.2 °C; (20)Enthalpy of Vaporization: 50.4 kJ/mol; (21)Boiling Point: 286 °C at 760 mmHg; (22)Vapour Pressure: 0.00467 mmHg at 25 °C.

Preparation of Benzene, 1-methyl-4-[(4-methylphenyl)methyl]-: this chemical is prepared 4, 4'-Dimethyl-benzophenone at ambient temperature. This reaction needs reagents CF₃SO₃H and (C₂H₅)₃SiH. Meanwhile, it needs solvent CH₂Cl₂. The reaction time is 2 hours. The yield is about 85 %.

The Benzene, 1-methyl-4-[(4-methylphenyl)methyl]- can be obtained by 4, 4'-Dimethyl-benzophenone.

Uses of Benzene, 1-methyl-4-[(4-methylphenyl)methyl]-: 1.) it can be used as high temperature heat supporters; 2.) it is used to produce other chemicals. For example, it is used to produce Bis-(4-methyl-3-nitro-phenyl)-methane. The reaction needs reagent conc. HNO₃ / conc. H₂SO₄ and solvent Nitromethane. The reaction time is 1 hour with reaction temperature of 3 °C. The yield is about 43 %.

Benzene, 1-methyl-4-[(4-methylphenyl)methyl]- can be used to produce Bis-(4-methyl-3-nitro-phenyl)-methane.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(ccc(c1)C)Cc2ccc(cc2)C
(2) InChI: InChI=1/C15H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
(3) InChIKey: HZAWPPRBCALFRN-UHFFFAOYAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LC50	inhalation	180mg/m³/2H (180mg/m³)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 42, 1986.
rat	LD50	oral	1700mg/kg (1700mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 42, 1986.