2-AMINO-4-TRIFLUOROMETHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

Reported in EPA TSCA Inventory.

Poison by intravenous route. When heated to decomposition it emits toxic vapors of NO_x and SO_x.
 

Hazard Note: Irritant
Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
 

The 2-Amino-4-Trifluoromethyl-Thiazole-5-carboxylic acid ethyl ester with the cas number 344-72-9. It is also called (1) 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester ; (2) Ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate ; (3) 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole ; (4) 2-Amino-4-(trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester . It belongs to the following product categories: (1)Amines; (2)blocks; (3)Carboxes; (4)FluoroCompounds; (5)Oxazoles.

Properties of 2-Amino-4-Trifluoromethyl-Thiazole-5-carboxylic acid ethyl ester: (1)ACD/LogP: 1.86 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.86 ; (4)ACD/LogD (pH 7.4): 1.86 ; (5)ACD/BCF (pH 5.5): 15.28 ; (6)ACD/BCF (pH 7.4): 15.28 ; (7)ACD/KOC (pH 5.5): 245.04 ; (8)ACD/KOC (pH 7.4): 245.04 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 70.67 Å² ; (13)Index of Refraction: 1.507 ; (14)Molar Refractivity: 48.35 cm³ ; (15)Molar Volume: 162.3 cm³ ; (16)Polarizability: 19.16 ×10^-24cm³ ; (17)Surface Tension: 41.6 dyne/cm ; (18)Density: 1.479 g/cm³ ; (19)Flash Point: 153.2 °C ; (20)Enthalpy of Vaporization: 57.23 kJ/mol ; (21)Boiling Point: 329.7 °C at 760 mmHg ; (22)Vapour Pressure: 0.000174 mmHg at 25°C

The 2-Amino-4-Trifluoromethyl-Thiazole-5-carboxylic acid ethyl ester can be obtained by reaction of thiourea with 2-chloro-4,4,4-trifluoro-3-oxo-butyric acid ethyl ester with heating for 16 hour(s) in ethanol . yield is 72 % .

 
You can still convert the following datas into molecular structure :
1. SMILES: FC(F)(F)c1nc(sc1C(=O)OCC)N
2. InChI: InChI=1/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)12-6(11)15-3/h2H2,1H3,(H2,11,12)

Toxic information of 2-Amino-4-Trifluoromethyl-Thiazole-5-carboxylic acid ethyl ester can be showed as the following: