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Name
2-(4-BROMO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- EINECS 200-589-5
- CAS No. 885278-75-1
- Article Data9
- CAS DataBase
- Density 1.5 g/cm3
- Solubility
- 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
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- 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
- PSA 67.43000
- LogP 3.74930
4-Thiazolecarboxylicacid, 2-(4-bromophenyl)-, ethyl ester Specification
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
Related Products
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