Molecular Structure of 4-Thiazolecarboxylic acid, 2-amino-, ethyl ester (CAS NO.5398-36-7):
IUPAC Name: ethyl 2-amino-1,3-thiazole-4-carboxylate
Empirical Formula: C6H8N2O2S
Molecular Weight: 172.2049
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 70.67Å2
Index of Refraction: 1.588
Molar Refractivity: 43.37 cm3
Molar Volume: 128.8 cm3
Surface Tension: 57.7 dyne/cm
Density: 1.336 g/cm3
Flash Point: 140.1 °C
Enthalpy of Vaporization: 54.86 kJ/mol
Boiling Point: 308 °C at 760 mmHg
Vapour Pressure: 0.000701 mmHg at 25°C
Melting point: 177 °C
InChI: InChI=1/C6H8N2O2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)
Smiles: c1(nc(N)sc1)C(=O)OCC
Product Categories: Amines; blocks; Carboxes; Thiazoles; Amino Acids and Derivatives; Heterocycles;pharmacetical; Esters; Thiazoles, Isothiazoles &Benzothiazoles; Heterocycle intermediates; API; Thiazoles, Isothiazoles & Benzothiazoles
Hazard Codes: Xi,Xn
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 24/25-36/37/39-26-22
S24/25:Avoid contact with skin and eyes.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S22:Do not breathe dust.
Hazard Note: Irritant
HazardClass: Irritant
4-Thiazolecarboxylic acid, 2-amino-, ethyl ester , with CAS number of 5398-36-7, can be called 2-Aminothiazole-4-ethylformate ; Ethyl 2-amino-1,3-thiazole-4-carboxylate ; Ethyl 2-aminothiazole-4-carboxylate . It is a white crystal powde.
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