Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 2-bromothiazole-4-carboxylate |
EINECS | N/A |
CAS No. | 100367-77-9 | Density | 1.654 g/cm3 |
PSA | 67.43000 | LogP | 2.08230 |
Solubility | N/A | Melting Point |
48-52 °C |
Formula | C6H6BrNO2S | Boiling Point | 277.6 °C at 760 mmHg |
Molecular Weight | 236.089 | Flash Point | 121.7 °C |
Transport Information | N/A | Appearance | white crystalline power |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Bromothiazole-4-carboxylic acid ethyl ester;2-Bromo-thiazole-4-carboxylic acid ethyl ester;Ethyl 2-bromo-1,3-thiazole-4-carboxylate; |
Article Data | 40 |
The Ethyl 2-bromothiazole-4-carboxylate with CAS registry number of 100367-77-9 is also known as 2-Bromothiazole-4-carboxylic acid ethyl ester. The IUPAC name is Ethyl 2-bromo-1,3-thiazole-4-carboxylate. It belongs to product categories of Blocks; Bromides; Carboxes; Thiazoles; Esters; Thiazoles, Isothiazoles &Benzothiazoles; Thiazoles, Isothiazoles & Benzothiazoles; Building Blocks; Thiazole. In addition, the formula is C6H6BrNO2S and the molecular weight is 236.09. Besides, this chemical should be kept cold.
Physical properties about Ethyl 2-bromothiazole-4-carboxylate are: (1)ACD/LogP: 2.44 (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 67.43Å2; (5)Index of Refraction: 1.569; (6)Molar Refractivity: 46.82 cm3; (7)Molar Volume: 142.7 cm3; (8)Polarizability: 18.56×10-24cm3; (9)Surface Tension: 50.1 dyne/cm; (10)Density: 1.654 g/cm3; (11)Flash Point: 121.7 °C; (12)Enthalpy of Vaporization: 51.62 kJ/mol; (13)Boiling Point: 277.6 °C at 760 mmHg; (14)Vapour Pressure: 0.00448 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCOC(=O)C1=CSC(=N1)Br
2. InChI: InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
3. InChIKey: CNHISCQPKKGDPO-UHFFFAOYSA-N