Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 2-(4'-bromophenyl)-1,3-oxazole-4-carboxylate |
EINECS | N/A |
CAS No. | 391248-23-0 | Density | 1.471 g/cm3 |
PSA | 52.33000 | LogP | 3.28080 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H10BrNO3 | Boiling Point | 380.9 °C at 760 mmHg |
Molecular Weight | 296.12 | Flash Point | 184.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
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 |
Article Data | 5 |
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