4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline supplier

Name
4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline
EINECS
CAS No. 173676-54-5
Article Data8
CAS DataBase
Density 1.356 g/cm³
Solubility
Melting Point 82-84?C
Formula C₁₆H₁₃ClF₃NO₂
Boiling Point 444.912 °C at 760 mmHg
Molecular Weight 343.733
Flash Point 222.875 °C
Transport Information
Appearance Yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(4-Methoxybenzyl)-4-chloro-2-(trifluoroacetyl)aniline;
PSA 38.33000
LogP 4.77870

4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline 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

Product Name

4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline

4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline Specification

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