Ethanone,1-[4-amino-3-(trifluoromethyl)phenyl]- supplier

Name
1-(4-Amino-3-trifluoromethyl-phenyl)-ethanone
EINECS
CAS No. 343564-14-7
Article Data7
CAS DataBase
Density 1.296 g/cm³
Solubility
Melting Point
Formula C₉H₈F₃NO
Boiling Point 271.857 °C at 760 mmHg
Molecular Weight 203.164
Flash Point 118.215 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[4-Amino-3-(trifluoromethyl)phenyl]-1-ethanone;4'-Amino-3'-(trifluoromethyl)acetophenone;
PSA 43.09000
LogP 3.07140

Ethanone,1-[4-amino-3-(trifluoromethyl)phenyl]- Specification

The Ethanone,1-[4-amino-3-(trifluoromethyl)phenyl]-, with the CAS registry number 343564-14-7, is also known as 4'-Amino-3'-(trifluoromethyl)acetophenone. This chemical's molecular formula is C₉H₈F₃NO and molecular weight is 203.16. What's more, its systematic name is 1-[4-amino-3-(trifluoromethyl)phenyl]ethanone.

Physical properties of Ethanone,1-[4-amino-3-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 37; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 462; (8)ACD/KOC (pH 7.4): 462; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.09 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 45.497 cm³; (15)Molar Volume: 156.755 cm³; (16)Polarizability: 18.036×10^-24cm³; (17)Surface Tension: 32.926 dyne/cm; (18)Density: 1.296 g/cm³; (19)Flash Point: 118.215 °C; (20)Enthalpy of Vaporization: 51.011 kJ/mol; (21)Boiling Point: 271.857 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1N)C(C)=O
(2)InChI: InChI=1S/C9H8F3NO/c1-5(14)6-2-3-8(13)7(4-6)9(10,11)12/h2-4H,13H2,1H3
(3)InChIKey: TXFXQCKJRBOBDW-UHFFFAOYSA-N

Product Name

1-(4-Amino-3-trifluoromethyl-phenyl)-ethanone

Ethanone,1-[4-amino-3-(trifluoromethyl)phenyl]- Specification

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