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CAS No.: | 138143-23-4 |
---|---|
Name: | 1 3 5-TRIS((3-METHYLPHENYL)PHENYLAMINO)& |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C45H39N3 |
Molecular Weight: | 621.825 |
Synonyms: | N, N', N''-Tris(3-methylphenyl)-N, N', N''-triphenyl-1, 3, 5-benzenetriamine; |
Density: | 1.169 g/cm3 |
Melting Point: | 183-185 °C |
Boiling Point: | 753.1 °C at 760 mmHg |
Flash Point: | 412.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 9.72000 |
LogP: | 13.02120 |
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The 1, 3, 5-Tris[(3-methylphenyl)phenylamino]benzene, with the CAS registry number 138143-23-4, is also known as N, N', N''-Tris(3-methylphenyl)-N, N', N''-triphenyl-1, 3, 5-benzenetriamine. It belongs to the product categories of Hole Transporting Materials; OLED and PLED Materials; Organic Electronics and Photonics. This chemical's molecular formula is C45H39N3 and molecular weight is 621.824. What's more, its systematic name is N, N', N''-Tris(3-methylphenyl)-N, N', N''-triphenylbenzene-1, 3, 5-triamine.
Physical properties about 1, 3, 5-Tris[(3-methylphenyl)phenylamino]benzene are: (1)ACD/LogP: 14.46; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.46; (4)ACD/LogD (pH 7.4): 14.46; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 202.25 cm3; (14)Molar Volume: 531.7 cm3; (15)Polarizability: 80.18×10-24 cm3; (16)Surface Tension: 52.7 dyne/cm; (17)Density: 1.169 g/cm3; (18)Flash Point: 412.6 °C; (19)Enthalpy of Vaporization: 109.74 kJ/mol; (20)Boiling Point: 753.1 °C at 760 mmHg; (21)Vapour Pressure: 1.45E-22 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(ccc1)N(c2cc(cc(c2)N(c3ccccc3)c4cc(C)ccc4)N(c5cccc(C)c5)c6ccccc6)c7ccccc7
(2) InChI: InChI=1/C45H39N3/c1-34-16-13-25-40(28-34)46(37-19-7-4-8-20-37)43-31-44(47(38-21-9-5-10-22-38)41-26-14-17-35(2)29-41)33-45(32-43)48(39-23-11-6-12-24-39)42-27-15-18-36(3)30-42/h4-33H,1-3H3
(3) InChIKey: HKDGIZZHRDSLHF-UHFFFAOYAT