CAS No.154598-53-5,1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	154598-53-5
Name:	1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethanone
Article Data:	26

Formula:	C₈H₅ClF₃NO
Molecular Weight:	223.582
Synonyms:	2-Amino-5-chlorophenyl trifluoromethyl ketone;4-Chloro-2-(trifluoroacetyl)aniline;
EINECS:	1806241-263-5
Density:	1.475 g/cm³
Melting Point:	95-97 °C
Boiling Point:	282.279 °C at 760 mmHg
Flash Point:	124.518 °C
Appearance:	Yellow solid
PSA:	43.09000
LogP:	3.24840

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Specification

The Ethanone,1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro- is an organic compound with the formula C₈H₅ClF₃NO. The systematic name of this chemical is 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethanone. With the CAS registry number 154598-53-5, it is also named as 4-Chloro-2-trifluoroacetylaniline. The product's categories are Chemical Amines; Amines; Aromatics. Besides, its molecular weight is yellow solid. It can be used as an intermediate in the synthesis of Efavirenz-d4.

Physical properties about Ethanone,1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro- are: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 152; (5)ACD/BCF (pH 7.4): 152; (6)ACD/KOC (pH 5.5): 1269; (7)ACD/KOC (pH 7.4): 1269; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 43.09 Å²; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 45.869 cm³; (14)Molar Volume: 151.586 cm³; (15)Polarizability: 18.184×10^-24 cm³; (16)Surface Tension: 38.574 dyne/cm; (17)Density: 1.475 g/cm³; (18)Flash Point: 124.518 °C; (19)Enthalpy of Vaporization: 52.113 kJ/mol; (20)Boiling Point: 282.279 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H5ClF3NO/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12/h1-3H,13H2
(2)InChIKey: NOKSRMDODJGCPZ-UHFFFAOYAM
(3)Std. InChI: InChI=1S/C8H5ClF3NO/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12/h1-3H,13H2
(4)Std. InChIKey: NOKSRMDODJGCPZ-UHFFFAOYSA-N