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CAS No.: | 603-40-7 |
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Name: | 4,4'-Diamino-triphenylmethane |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C19H18N2 |
Molecular Weight: | 274.365 |
Synonyms: | Aniline,4,4'-benzylidenedi- (6CI,7CI,8CI);Aniline, p,p'-benzalbis- (3CI);4,4'-(Phenylmethylene)bisaniline;4,4'-Diaminotriphenylmethane;NSC 37196;Tetradesmethyl leucomalachite green; |
EINECS: | 210-038-1 |
Density: | 1.156 g/cm3 |
Melting Point: | 139~140℃ |
Boiling Point: | 476.6 °C at 760 mmHg |
Flash Point: | 290.7 °C |
PSA: | 52.04000 |
LogP: | 5.19360 |
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This chemical is called Benzenamine, 4,4'-(phenylmethylene)bis-, and its systematic name is 4,4'-Benzylidenedianiline. With the molecular formula of C19H18N2, its molecular weight is 274.36. The CAS registry number of this chemical is 603-40-7. Additionally, its product categories are Intermediates of Dyes and Pigments.
Other characteristics of the Benzenamine, 4,4'-(phenylmethylene)bis- can be summarised as followings: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 91.29; (6)ACD/BCF (pH 7.4): 138.71; (7)ACD/KOC (pH 5.5): 780.66; (8)ACD/KOC (pH 7.4): 1186.12; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 88.44 cm3; (15)Molar Volume: 237.2 cm3; (16)Polarizability: 35.06×10-24cm3; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.156 g/cm3; (19)Flash Point: 290.7 °C; (20)Enthalpy of Vaporization: 74.04 kJ/mol; (21)Boiling Point: 476.6 °C at 760 mmHg; (22)Vapour Pressure: 3E-09 mmHg at 25°C.
Uses of this chemical: The Benzenamine, 4,4'-(phenylmethylene)bis- could react with 1-methyl-4-nitroso-benzene, and obtain the 4,4'-Bis(4-methylphenylazo)triphenylmethan. This reaction needs the reagent of glacial AcOH, and the solvent of ethanol. The yield is 61 %. In addition, this reaction should be taken for 5 hours at the temperature of 40-50 °C.
You can still convert the following datas into molecular structure:
1.SMILES: c1(ccc(N)cc1)C(c2ccc(N)cc2)c3ccccc3
2.InChI: InChI=1/C19H18N2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,19H,20-21H2
3.InChIKey: XECVXFWNYNXCBN-UHFFFAOYAC