CAS No.173676-54-5,4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	173676-54-5
Name:	4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline
Article Data:	8

Formula:	C₁₆H₁₃ClF₃NO₂
Molecular Weight:	343.733
Synonyms:	N-(4-Methoxybenzyl)-4-chloro-2-(trifluoroacetyl)aniline;
Density:	1.356 g/cm³
Melting Point:	82-84?C
Boiling Point:	444.912 °C at 760 mmHg
Flash Point:	222.875 °C
Appearance:	Yellow solid
PSA:	38.33000
LogP:	4.77870

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Specification

The 4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline is an organic compound with the formula C₁₆H₁₃ClF₃NO₂. The systematic name of this chemical is 1-{5-chloro-2-[(4-methoxybenzyl)amino]phenyl}-2,2,2-trifluoroethanone. With the CAS registry number 173676-54-5, it is also named as ethanone, 1-[5-chloro-2-[[(4-methoxyphenyl)methyl]amino]phenyl]-2,2,2-trifluoro-. The product's category is (Intermediate of Efavirenz).

Physical properties about 4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline are: (1)ACD/LogP: 4.35; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 5330; (5)ACD/BCF (pH 7.4): 5330; (6)ACD/KOC (pH 5.5): 16188; (7)ACD/KOC (pH 7.4): 16188; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.33 Å²; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 82.408 cm³; (14)Molar Volume: 253.466 cm³; (15)Polarizability: 32.669×10^-24cm³; (16)Surface Tension: 40.558 dyne/cm; (17)Density: 1.356 g/cm³; (18)Flash Point: 222.875 °C; (19)Enthalpy of Vaporization: 70.281 kJ/mol; (20)Boiling Point: 444.912 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c(NCc1ccc(OC)cc1)cc2)C(=O)C(F)(F)F
(2)InChI: InChI=1/C16H13ClF3NO2/c1-23-12-5-2-10(3-6-12)9-21-14-7-4-11(17)8-13(14)15(22)16(18,19)20/h2-8,21H,9H2,1H3
(3)InChIKey: BLTYAJPHEPYMJK-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C16H13ClF3NO2/c1-23-12-5-2-10(3-6-12)9-21-14-7-4-11(17)8-13(14)15(22)16(18,19)20/h2-8,21H,9H2,1H3
(5)Std. InChIKey: BLTYAJPHEPYMJK-UHFFFAOYSA-N