Hazard Codes | Xi |
Hazard Note | Irritant |
Molecular Structure of Methyl 2-chloro-4-thiazolecarboxylate (CAS NO.850429-61-7):
IUPAC Name: methyl 2-chloro-1,3-thiazole-4-carboxylate
Empirical Formula: C5H4ClNO2S
Molecular Weight: 177.6088
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 67.43 Å2
Index of Refraction: 1.559
Molar Refractivity: 39.39 cm3
Molar Volume: 121.9 cm3
Surface Tension: 50.5 dyne/cm
Density: 1.456 g/cm3
Flash Point: 117.8 °C
Enthalpy of Vaporization: 50.94 kJ/mol
Boiling Point: 271.2 °C at 760 mmHg
Vapour Pressure: 0.00653 mmHg at 25°C
Melting point: 90-94°C
Product Categories: blocks;Carboxes; Thiazoles
SMILES: O=C(OC)c1nc(Cl)sc1
InChI: InChI=1/C5H4ClNO2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3
Hazard Codes: Xi
Hazard Note: Irritant
Methyl 2-chloro-4-thiazolecarboxylate , with CAS number of 850429-61-7, can be called Methyl 2-chlorothiazole-4-carboxylate ; Ethyl 2-chloro-1,3-thiazole-4-carboxylate ; Methyl 2-chloro-1,3-thiazole-4-carboxylate 95% ; Methyl 2-Chlorothiazole-5-Carboxylate .
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