CAS No.58047-42-0,4-Bromo-4',4''-dimethyltriphenylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58047-42-0
Name:	4-Bromo-4',4''-dimethyltriphenylamine
Article Data:	13

Formula:	C₂₀H₁₈BrN
Molecular Weight:	352.274
Synonyms:	4-Bromo-4',4''-dimethyltriphenylamine;Bis(4-methylphenyl)(4-bromophenyl)amine;Di-p-tolyl-p-bromophenylamine;
Density:	1.308 g/cm³
Melting Point:	102 °C
Boiling Point:	459.927 °C at 760 mmHg
Flash Point:	231.956 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26
PSA:	3.24000
LogP:	6.53570

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Specification

The systematic name of 4-Bromo-4',4''-dimethyltriphenylamine is 4-bromo-N,N-bis(4-methylphenyl)aniline. With the CAS registry number 58047-42-0, it is also named as (4-Bromophenyl)-di-p-tolylamine. In addition, it should be stored in sealed container, and placed cool, ventilated and dry place under dry protective gas, and avoid contact with water. Moreover, its molecular formula is C₂₀H₁₈BrN and molecular weight is 352.27.

The other characteristics of 4-Bromo-4',4''-dimethyltriphenylamine can be summarized as: (1)ACD/LogP: 8.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8; (4)ACD/LogD (pH 7.4): 8; (5)ACD/BCF (pH 5.5): 398674; (6)ACD/BCF (pH 7.4): 398674; (7)ACD/KOC (pH 5.5): 355218; (8)ACD/KOC (pH 7.4): 355218; (9)H bond acceptors: 1; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 97.437 cm³; (15)Molar Volume: 269.329 cm³; (16)Polarizability: 38.627×10^-24cm³; (17)Surface Tension: 46.681 dyne/cm; (18)Density: 1.308 g/cm³; (19)Flash Point: 231.956 °C; (20)Melting Point: 102 °C; (21)Enthalpy of Vaporization: 72.051 kJ/mol; (22)Boiling Point: 459.927 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:Brc3ccc(N(c1ccc(cc1)C)c2ccc(cc2)C)cc3
InChI:InChI=1/C20H18BrN/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)20-13-7-17(21)8-14-20/h3-14H,1-2H3
InChIKey:YMNJJMJHTXGFOR-UHFFFAOYAW
Std. InChI:InChI=1S/C20H18BrN/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)20-13-7-17(21)8-14-20/h3-14H,1-2H3
Std. InChIKey:YMNJJMJHTXGFOR-UHFFFAOYSA-N