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CAS No.: | 850429-61-7 | ||||
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Name: | METHYL 2-CHLORO-4-THIAZOLECARBOXYLATE | ||||
Molecular Structure: | |||||
Formula: | C5H4 Cl N O2 S | ||||
Molecular Weight: | 177.611 | ||||
Synonyms: | 2-Chlorothiazole-4-carboxylicacid methyl ester | ||||
Density: | 1.456g/cm3 | ||||
Melting Point: | 90-94 | ||||
Boiling Point: | 271.2°C at 760 mmHg | ||||
Flash Point: | 117.8°C | ||||
Hazard Symbols: | |||||
Risk Codes: | 36/37/38 | ||||
Safety: |
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PSA: | 67.43000 | ||||
LogP: | 1.58310 |
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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 .