Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 2-bromothiazole-5-carboxylate |
EINECS | N/A |
CAS No. | 41731-83-3 | Density | 1.654 g/cm3 |
PSA | 67.43000 | LogP | 2.08230 |
Solubility | Miscible is water. | Melting Point |
N/A |
Formula | C6H6BrNO2S | Boiling Point | 277.6 °C at 760 mmHg |
Molecular Weight | 236.089 | Flash Point | 121.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 43 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Bromo-1,3-thiazole-5-carboxylicacid ethyl ester;2-Bromo-5-(ethoxycarbonyl)thiazole;2-Bromothiazol-5-carboxylicacid ethyl ester;2-Bromothiazole-5-carboxylic acid ethyl ester;Ethyl2-bromo-1,3-thiazole-5-carboxylate;Ethyl 2-bromo-5-thiazolecarboxylate; |
Article Data | 14 |
The Ethyl 2-bromothiazole-5-carboxylate is an organic compound with the formula C6H6BrNO2S. The IUPAC name of this chemical is ethyl 2-bromo-1,3-thiazole-5-carboxylate. With the CAS registry number 41731-83-3, it is also named as 5-Thiazolecarboxylic acid, 2-bromo-, ethyl ester. The product's categories are Blocks; Bromides; Carboxes; Thiazoles; Esters; Thiazoles, Isothiazoles & Benzothiazoles; Thiazole; Thiazoles, Isothiazoles & Benzothiazoles; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiazoles Heterocyclic Building Blocks.
Physical properties about Ethyl 2-bromothiazole-5-carboxylate are: (1)ACD/LogP: 2.44; (2)ACD/LogD (pH 5.5): 2.44; (3)ACD/LogD (pH 7.4): 2.44; (4)ACD/BCF (pH 5.5): 41.87; (5)ACD/BCF (pH 7.4): 41.87; (6)ACD/KOC (pH 5.5): 504.16; (7)ACD/KOC (pH 7.4): 504.16; (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: 18.56×10-24cm3; (15)Surface Tension: 50.1 dyne/cm; (16)Density: 1.654 g/cm3; (17)Flash Point: 121.7 °C; (18)Enthalpy of Vaporization: 51.62 kJ/mol; (19)Boiling Point: 277.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00448 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause sensitisation by skin contact. When you are using it, wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1sc(Br)nc1
(2)InChI: InChI=1/C6H6BrNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
(3)InChIKey: KTYIFXLNIMPSKI-UHFFFAOYAR