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| CAS No.: | 208264-60-2 |
|---|---|
| Name: | 2,5-DIBROMO-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H5Br2NO2S |
| Molecular Weight: | 314.98 |
| Synonyms: | 2,5-Dibromo-thiazole-4-carboxylic acid ethyl ester;4-Thiazolecarboxylicacid, 2,5-dibromo-, ethyl ester; |
| Density: | 1.982 g/cm3 |
| Boiling Point: | 327.2 °C at 760 mmHg |
| Flash Point: | 151.7 °C |
| PSA: | 67.43000 |
| LogP: | 2.84480 |
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Specification
The CAS registry number of 4-Thiazolecarboxylicacid, 2,5-dibromo-, ethyl ester is 208264-60-2. The IUPAC name is ethyl 2,5-dibromo-1,3-thiazole-4-carboxylate. In addition, the molecular formula is C6H5Br2NO2S and the molecular weight is 314.98. It should be stored in a airtight, cool and dry place.
Physical properties about 4-Thiazolecarboxylicacid, 2,5-dibromo-, ethyl ester are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.21; (6)ACD/BCF (pH 7.4): 77.21; (7)ACD/KOC (pH 5.5): 781.29; (8)ACD/KOC (pH 7.4): 781.29; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 54.51 cm3; (15)Molar Volume: 158.9 cm3; (16)Polarizability: 21.61 ×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.982 g/cm3; (19)Flash Point: 151.7 °C; (20)Enthalpy of Vaporization: 56.94 kJ/mol; (21)Boiling Point: 327.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000206 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sc(Br)nc1C(=O)OCC
(2)Std. InChI: InChI=1S/C6H5Br2NO2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3
(3)Std. InChIKey: SAEIBOLCDWLABF-UHFFFAOYSA-N