CAS No.58473-78-2,Benzenamine,4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58473-78-2
Name:	Benzenamine,4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl)-
Article Data:	1

Formula:	C₄₆H₄₆N₂
Molecular Weight:	626.885
Synonyms:	1,1-Bis(4-di-p-tolylaminophenyl)cyclohexane;1,1-Bis(di-4-tolylaminophenyl)cyclohexane;1,1-Bis[4-(di-4-tolylamino)phenyl]cyclohexane;4,4'-Cyclohexylidenebis[N,N-di-p-tolylaniline];ST 755;TAPC;
EINECS:	261-274-7
Density:	1.118 g/cm³
Melting Point:	186 °C
Boiling Point:	755 °C at 760 mmHg
Flash Point:	328.8 °C
Hazard Symbols:	T
Risk Codes:	R23/24/25; R36/37/38
Safety:	24/25
PSA:	6.48000
LogP:	13.11000

Synthetic route

: 624-31-7
4-tolyl iodide

: 3282-99-3
1,1-bis-(4-aminophenyl)cyclohexane

: 58473-78-2
1,1-bis[4-(di-p-tolylamino)phenyl]cyclohexane

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In 1,2-dichloro-benzene at 150℃; for 48h; Inert atmosphere; Schlenk technique;	54%

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Specification

The IUPAC name of 4,4'-Cyclohexylidenebis[N,N-bis(4-methylphenyl)aniline] is 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline. With the CAS registry number 58473-78-2, it is also named as Benzenamine,4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl)-. The product's categories are Electronic; Electroluminescence; Functional Materials, and the other registry number is 148044-18-2. In addition, its molecular formula is C₄₆H₄₆N₂ and its molecular weight is 626.87. This chemical should be stored in tightly sealed container in cool and dry place.

The other characteristics of 4,4'-Cyclohexylidenebis[N,N-bis(4-methylphenyl)aniline] can be summarized as: (1)EINECS: 261-274-7; (2)ACD/LogP: 14.89; (3)# of Rule of 5 Violations: 2; (4)ACD/LogD (pH 5.5): 14.89; (5)ACD/LogD (pH 7.4): 14.89; (6)ACD/BCF (pH 5.5): 1000000; (7)ACD/BCF (pH 7.4): 1000000; (8)ACD/KOC (pH 5.5): 10000000; (9)ACD/KOC (pH 7.4): 10000000; (10)H bond acceptors: 2; (11)H bond donors: 0; (12)Freely Rotating Bonds: 8; (13)Polar Surface Area: 6.48 Å²; (14)Index of Refraction: 1.645; (15)Molar Refractivity: 203.45 cm³; (16)Molar Volume: 560.6 cm³; (17)Polarizability: 80.65×10^-24cm³; (18)Surface Tension: 49 dyne/cm; (19)Density: 1.118 g/cm³; (20)Flash Point: 328.8 °C; (21)Melting Point: 186 °C; (22)Enthalpy of Vaporization: 110 kJ/mol; (23)Boiling Point: 755 °C at 760 mmHg; (24)Vapour Pressure: 1.11E-22 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc(ccc1N(c2ccc(cc2)C)c3ccc(cc3)C)C7(c6ccc(N(c4ccc(cc4)C)c5ccc(cc5)C)cc6)CCCCC7
(2)InChI:InChI=1/C46H46N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-31H,5-7,32-33H2,1-4H3
(3)InChIKey:ZOKIJILZFXPFTO-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C46H46N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-31H,5-7,32-33H2,1-4H3
(5)Std. InChIKey:ZOKIJILZFXPFTO-UHFFFAOYSA-N