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