Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Thiazolecarboxylicacid, 2-(4-bromophenyl)-, ethyl ester |
EINECS | 200-589-5 |
CAS No. | 885278-75-1 | Density | 1.5 g/cm3 |
PSA | 67.43000 | LogP | 3.74930 |
Solubility | N/A | Melting Point |
89-91 °C |
Formula | C12H10BrNO2S | Boiling Point | 404.6 °C at 760 mmHg |
Molecular Weight | 312.187 | Flash Point | 198.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(4-BROMO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;Ethyl 2-(4-bromophenyl)-1,3-thiazole-4-carboxylate;Ethyl 2-(4-bromophenyl)thiazole-4-carboxylate |
Article Data | 9 |
This chemical is called 4-Thiazolecarboxylic acid, 2-(4-bromophenyl)-, ethyl ester, and its systematic name is Ethyl 2-(4-bromophenyl)-1,3-thiazole-4-carboxylate. With the molecular formula of C12H10BrNO2S, its molecular weight is 312.18. The CAS registry number of this chemical is 885278-75-1. Additionally, its product category is Thiazole.
Other characteristics of the 4-Thiazolecarboxylic acid, 2-(4-bromophenyl)-, ethyl ester can be summarised as followings: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 4.69; (5)ACD/BCF (pH 5.5): 2156.42; (6)ACD/BCF (pH 7.4): 2156.42; (7)ACD/KOC (pH 5.5): 8469.98; (8)ACD/KOC (pH 7.4): 8469.98; (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: 1.602; (14)Molar Refractivity: 71.41 cm3; (15)Molar Volume: 208 cm3; (16)Polarizability: 28.31×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 198.5 °C; (20)Enthalpy of Vaporization: 65.61 kJ/mol; (21)Boiling Point: 404.6 °C at 760 mmHg; (22)Vapour Pressure: 9.33E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)c1csc(n1)c2ccc(cc2)Br
2.InChI: InChI=1/C12H10BrNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
3.InChIKey: SJTSPSRXMTVFAU-UHFFFAOYAH