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Ethyl 2-bromothiazole-5-carboxylate

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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 Molecular Structure of 41731-83-3 (Ethyl 2-bromothiazole-5-carboxylate) Hazard Symbols IrritantXi
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

Ethyl 2-bromothiazole-5-carboxylate Specification

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

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