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4-Amino-2-(trifluoromethyl)acetanilide

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Name

4-Amino-2-(trifluoromethyl)acetanilide

EINECS N/A
CAS No. 134514-34-4 Density 1.378 g/cm3
PSA 55.12000 LogP 2.90020
Solubility N/A Melting Point 137-139ºC
Formula C9H9F3N2O Boiling Point 267.6 ºC at 760 mmHg
Molecular Weight 218.178 Flash Point 115.6ºC
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 134514-34-4 (4-AMINO-2-(TRIFLUOROMETHYL)ACETANILIDE) Hazard Symbols R36/37/38:;
Synonyms

3-Trifluoromethyl-4-acetamidoaniline;

 

4-Amino-2-(trifluoromethyl)acetanilide Specification

The 4-Amino-2-(trifluoromethyl)acetanilide with cas registry number of 134514-34-4,  has the systematic name of N-[4-amino-2-(trifluoromethyl)phenyl]acetamide. And it is also named acetamide, N-[4-amino-2-(trifluoromethyl)phenyl]-.

Physical properties about this chemical are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 2.53; (6)ACD/BCF (pH 7.4): 2.58; (7)ACD/KOC (pH 5.5): 67.22; (8)ACD/KOC (pH 7.4): 68.55; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 49.74 cm3; (15)Molar Volume: 158.3 cm3; (16)Polarizability: 19.71×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Enthalpy of Vaporization: 50.56 kJ/mol; (19)Vapour Pressure: 0.0081 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-Amino-2-(trifluoromethyl)acetanilide irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(Nc1ccc(cc1C(F)(F)F)N)C;
(2)InChI: InChI=1/C9H9F3N2O/c1-5(15)14-8-3-2-6(13)4-7(8)9(10,11)12/h2-4H,13H2,1H3,(H,14,15);
(3)InChIKey: WTUVWNQWAIVCDO-UHFFFAOYAO;
(4)Std. InChI: InChI=1S/C9H9F3N2O/c1-5(15)14-8-3-2-6(13)4-7(8)9(10,11)12/h2-4H,13H2,1H3,(H,14,15);
(5)Std. InChIKey: WTUVWNQWAIVCDO-UHFFFAOYSA-N

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