Oxazole,5-(4-nitrophenyl)- supplier

Name
5-(4-NITROPHENYL)-1,3-OXAZOLE
EINECS
CAS No. 1014-23-9
Article Data20
CAS DataBase
Density 1.333 g/cm³
Solubility
Melting Point
Formula C₉H₆N₂O₃
Boiling Point 352.6 °C at 760 mmHg
Molecular Weight 190.158
Flash Point 167 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Oxazole,5-(p-nitrophenyl)- (7CI,8CI);5-(4-Nitrophenyl)-1,3-oxazole;5-(4-Nitrophenyl)oxazole;5-(p-Nitrophenyl)oxazole;
PSA 71.85000
LogP 2.77300

Oxazole,5-(4-nitrophenyl)- 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

Product Name

5-(4-NITROPHENYL)-1,3-OXAZOLE

Oxazole,5-(4-nitrophenyl)- Specification

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