Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline |
EINECS | N/A |
CAS No. | 173676-54-5 | Density | 1.356 g/cm3 |
PSA | 38.33000 | LogP | 4.77870 |
Solubility | N/A | 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 | N/A | Appearance | Yellow solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-(4-Methoxybenzyl)-4-chloro-2-(trifluoroacetyl)aniline; |
Article Data | 8 |
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