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1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethanone

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Name

1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethanone

EINECS 1806241-263-5
CAS No. 154598-53-5 Density 1.475 g/cm3
PSA 43.09000 LogP 3.24840
Solubility N/A Melting Point 95-97 °C
Formula C8H5ClF3NO Boiling Point 282.279 °C at 760 mmHg
Molecular Weight 223.582 Flash Point 124.518 °C
Transport Information N/A Appearance Yellow solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 154598-53-5 (1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethanone) Hazard Symbols N/A
Synonyms

2-Amino-5-chlorophenyl trifluoromethyl ketone;4-Chloro-2-(trifluoroacetyl)aniline;

Article Data 26

1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethanone 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

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