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| CAS No.: | 1014-23-9 |
|---|---|
| Name: | 5-(4-NITROPHENYL)-1,3-OXAZOLE |
| Molecular Structure: | |
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|
|
| Formula: | C9H6N2O3 |
| Molecular Weight: | 190.158 |
| Synonyms: | Oxazole,5-(p-nitrophenyl)- (7CI,8CI);5-(4-Nitrophenyl)-1,3-oxazole;5-(4-Nitrophenyl)oxazole;5-(p-Nitrophenyl)oxazole; |
| Density: | 1.333 g/cm3 |
| Boiling Point: | 352.6 °C at 760 mmHg |
| Flash Point: | 167 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 71.85000 |
| LogP: | 2.77300 |
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Specification
The Oxazole,5-(4-nitrophenyl)-, with the CAS registry number 1014-23-9, is also known as 5-(4-Nitrophenyl)oxazole . It belongs to the product category of Heterocycles. This chemical's molecular formula is C9H6N2O3 and formula weight is 190.1555. What's more, its systematic name is called 5-(4-nitrophenyl)-1,3-oxazole. When you are using this chemical, please be cautious about it, it may cause inflammation to the skin or other mucous membranes.
Physical properties of Oxazole,5-(4-nitrophenyl)-: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 8.04; (6)ACD/BCF (pH 7.4): 8.04; (7)ACD/KOC (pH 5.5): 154.73; (8)ACD/KOC (pH 7.4): 154.73; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 47.78 cm3; (14)Molar Volume: 142.5 cm3; (15)Surface Tension: 52.7 dyne/cm; (16)Density: 1.333 g/cm3; (17)Flash Point: 167 °C; (18)Enthalpy of Vaporization: 57.39 kJ/mol; (19)Boiling Point: 352.6 °C at 760 mmHg; (20)Vapour Pressure: 7.72E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(c1ocnc1)cc2
(2)InChI: InChI=1/C9H6N2O3/c12-11(13)8-3-1-7(2-4-8)9-5-10-6-14-9/h1-6H
(3)InChIKey: JJFHVOMPLSSUEC-UHFFFAOYAW