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| CAS No.: | 152300-60-2 |
|---|---|
| Name: | 5-Thiazolecarboxylic acid, 4-bromo-, ethyl ester |
| Molecular Structure: | |
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| Formula: | C6H6BrNO2S |
| Molecular Weight: | 236.089 |
| Synonyms: | 5-Thiazolecarboxylic acid, 4-bromo-, ethyl ester;5-Thiazolecarboxylicacid,4-bromo-,ethylester(9CI);4-Bromo-5-thiazolecarboxylic acid ethyl ester;Ethyl 4-bromo-5-thiazolecarboxylate;ethyl 4-broMo-1,3-thiazole-5-carboxylate;4-BroMo-thiazole-5-carboxylic acid ethyl ester;ethyl 4-bromothiazole-5-carboxylate |
| Density: | 1.654 g/cm3 |
| Boiling Point: | 289.1 °C at 760 mmHg |
| Flash Point: | 128.7 °C |
| PSA: | 67.43000 |
| LogP: | 2.08230 |
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Specification
The 5-Thiazolecarboxylicacid,4-bromo-,ethyl ester is an organic compound with the formula C6H6BrNO2S. The systematic name of this chemical is Ethyl 4-bromo-1,3-thiazole-5-carboxylate. With the CAS registry number 152300-60-2, it is also named as 4-Bromo-5-thiazolecarboxylic acid ethyl ester. The product's category is Thiazole. Besides, its molecular weight is 236.08634.
Physical properties about 5-Thiazolecarboxylicacid,4-bromo-,ethyl ester are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): 1.3; (3)ACD/LogD (pH 7.4): 1.3; (4)ACD/BCF (pH 5.5): 5.72; (5)ACD/BCF (pH 7.4): 5.72; (6)ACD/KOC (pH 5.5): 121.2; (7)ACD/KOC (pH 7.4): 121.2; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 67.43 Å2; (11)Index of Refraction: 1.569; (12)Molar Refractivity: 46.82 cm3; (13)Molar Volume: 142.7 cm3; (14)Polarizability: 18.56×10-24 cm3; (15)Surface Tension: 50.1 dyne/cm; (16)Density: 1.654 g/cm3; (17)Flash Point: 128.7 °C; (18)Enthalpy of Vaporization: 52.84 kJ/mol; (19)Boiling Point: 289.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00224 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H6BrNO2S/c1-2-10-6(9)4-5(7)8-3-11-4/h3H,2H2,1H3
(2)InChIKey: BPHMYUZUYGXGTO-UHFFFAOYAB