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Methyl 2-chloro-4-thiazolecarboxylate

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Name

Methyl 2-chloro-4-thiazolecarboxylate

EINECS N/A
CAS No. 850429-61-7 Density 1.456g/cm3
PSA 67.43000 LogP 1.58310
Solubility N/A Melting Point 90-94
Formula C5H4 Cl N O2 S Boiling Point 271.2°C at 760 mmHg
Molecular Weight 177.611 Flash Point 117.8°C
Transport Information N/A Appearance N/A
Safety
Hazard Codes Xi
Hazard Note Irritant
Risk Codes 36/37/38
Molecular Structure Molecular Structure of 850429-61-7 (4-Thiazolecarboxylicacid, 2-chloro-, methyl ester) Hazard Symbols
Synonyms

2-Chlorothiazole-4-carboxylicacid methyl ester

 

Methyl 2-chloro-4-thiazolecarboxylate Chemical Properties

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

Methyl 2-chloro-4-thiazolecarboxylate Safety Profile

Hazard Codes: IrritantXi
Hazard Note: Irritant

Methyl 2-chloro-4-thiazolecarboxylate Specification

  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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