Name: ETHYL 2-(4'-BROMOPHENYL)-1,3-OXAZOLE-4-CARBOXYLATE
SKU: 391248-23-0

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Basic Information

Molecular Structure:
CAS No.:	391248-23-0
Name:	ETHYL 2-(4'-BROMOPHENYL)-1,3-OXAZOLE-4-CARBOXYLATE
Article Data:	5

Formula:	C₁₂H₁₀BrNO₃
Molecular Weight:	296.12
Synonyms:	ETHYL 2-(4-BROMOPHENYL)-1,3-OXAZOLE-4-CARBOXYLATE;2-(4-BROMO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;ethyl 2-(4-bromophenyl)oxazole-4-carboxylate
Density:	1.471 g/cm³
Boiling Point:	380.9 °C at 760 mmHg
Flash Point:	184.1 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	52.33000
LogP:	3.28080

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Specification

The 4-Oxazolecarboxylicacid, 2-(4-bromophenyl)-, ethyl ester, with CAS registry number 391248-23-0,
has the systematic name of ethyl 2-(4-bromophenyl)oxazole-4-carboxylate. Besides this, it is also called Ethyl 2-(4'-bromophenyl)-1,3-oxazole-4-carboxylate. And the chemical formula of this chemical is C₁₂H₁₀BrNO₃.

Physical properties of 4-Oxazolecarboxylicacid, 2-(4-bromophenyl)-, ethyl ester: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 52.33 Å²; (9)Index of Refraction: 1.562; (10)Molar Refractivity: 65.33 cm³; (11)Molar Volume: 201.3 cm³; (12)Polarizability: 25.89×10^-24cm³; (13)Surface Tension: 45.8 dyne/cm; (14)Density: 1.47 g/cm³; (15)Flash Point: 184.1 °C; (16)Enthalpy of Vaporization: 62.91 kJ/mol; (17)Boiling Point: 380.9 °C at 760 mmHg; (18)Vapour Pressure: 5.28E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-Oxazolecarboxylicacid, 2-(4-bromophenyl)-, ethyl ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1coc(n1)c2ccc(Br)cc2
(2)InChI: InChI=1/C12H10BrNO3/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: DPKLLURBSVFMKB-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H10BrNO3/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
(5)Std. InChIKey: DPKLLURBSVFMKB-UHFFFAOYSA-N