CAS No.53715-64-3,ETHYL 4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53715-64-3
Name:	ETHYL 4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLATE
Article Data:	28

Formula:	C₁₃H₁₃NO₂S
Molecular Weight:	247.318
Synonyms:	4-Methyl-2-phenylthiazole-5-carboxylicacid ethyl ester;Ethyl 4-methyl-2-phenylthiazole-5-carboxylate;
Density:	1.188g/cm³
Melting Point:	36 °C
Boiling Point:	372.9 °C at 760 mmHg
Flash Point:	179.3 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38-22
Safety:	26-36/37/39-22
PSA:	67.43000
LogP:	3.29520

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Specification

The Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate, with cas registry number 53715-64-3, has the systematic name of ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate. Besides this, it is also called 5-thiazolecarboxylic acid, 4-methyl-2-phenyl-, ethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.21; (4)ACD/LogD (pH 7.4): 4.21; (5)ACD/BCF (pH 5.5): 929.88; (6)ACD/BCF (pH 7.4): 929.92; (7)ACD/KOC (pH 5.5): 4638.69; (8)ACD/KOC (pH 7.4): 4638.9 ; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 68.55 cm³; (15)Molar Volume: 208 cm³; (16)Polarizability: 27.17×10^-24cm³; (17)Surface Tension: 45.4 dyne/cm; (18)Enthalpy of Vaporization: 62.01 kJ/mol; (19)Vapour Pressure: 9.32E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides this, this chemical is harmful if swallowed. So do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1sc(nc1C)c2ccccc2
(2)InChI: InChI=1/C13H13NO2S/c1-3-16-13(15)11-9(2)14-12(17-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
(3)InChIKey: FYPLITQTMHJFKK-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C13H13NO2S/c1-3-16-13(15)11-9(2)14-12(17-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
(5)Std. InChIKey: FYPLITQTMHJFKK-UHFFFAOYSA-N