CAS No.460081-20-3,Ethyl 2-bromo-1,3-oxazole-4-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	460081-20-3
Name:	Ethyl 2-bromo-1,3-oxazole-4-carboxylate
Article Data:	3

Formula:	C₆H₆BrNO₃
Molecular Weight:	220.023
Synonyms:	Ethyl2-bromo-1,3-oxazole-4-carboxylate;Ethyl 2-bromooxazole-4-carboxylate;
Density:	1.617 g/cm³
Boiling Point:	272.2 °C at 760 mmHg
Flash Point:	118.4 °C
Hazard Symbols:	Xi
PSA:	52.33000
LogP:	1.61380

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Specification

The 4-Oxazolecarboxylicacid, 2-bromo-, ethyl ester, with the CAS registry number of 460081-20-3, is also known as Ethyl 2-bromo-1, 3-oxazole-4-carboxylate. It belongs to the product categories of Blocks; Bromides; Carboxes; Oxazoles; Building Blocks; Oxazole. This chemical's molecular formula is C₆H₆BrNO₃ and molecular weight is 220.0207. What's more, its systematic name is called Ethyl 2-bromooxazole-4-carboxylate.

Physical properties about 4-Oxazolecarboxylicacid, 2-bromo-, ethyl ester are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 52.33 Å²; (9)Index of Refraction: 1.51; (10)Molar Refractivity: 40.73 cm³; (11)Molar Volume: 136 cm³; (12)Surface Tension: 44 dyne/cm; (13)Density: 1.617 g/cm³; (14)Flash Point: 118.4 °C; (15)Enthalpy of Vaporization: 51.05 kJ/mol; (16)Boiling Point: 272.2 °C at 760 mmHg; (17)Vapour Pressure: 0.00616 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1coc(n1)Br
(2) InChI: InChI=1/C6H6BrNO3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
(3) InChIKey: SGIBUKNPAQMWAP-UHFFFAOYAR