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Name |
1,4-Bis(4,5-dihydro-2-oxazolyl)benzene |
EINECS | 231-066-0 |
CAS No. | 7426-75-7 | Density | 1.32 g/cm3 |
PSA | 43.18000 | LogP | 0.11140 |
Solubility | N/A | Melting Point |
146°C |
Formula | C12H12N2O2 | Boiling Point | 378.3 °C at 760 mmHg |
Molecular Weight | 216.239 | Flash Point | 148 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Oxazoline,2,2'-p-phenylenebis- (6CI,7CI,8CI);1,4-Bis(2-oxazolin-2-yl)benzene;1,4-PBO;1,4-Phenylenebisoxazoline;2,2'-(1,4-Phenylene)bis(2-oxazoline);2,2'-(1,4-Phenylene)bis[4,5-dihydrooxazole];2,2'-p-Phenylenebis(2-oxazoline);BOX 220; |
Article Data | 30 |
The 1,4-Bis(4,5-dihydro-2-oxazolyl)benzene, with the CAS registry number 7426-75-7, is also known as 2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole). Its EINECS number is 231-066-0. This chemical's molecular formula is C12H12N2O2 and molecular weight is 216.24. What's more, its systematic name is 2,2'-benzene-1,4-diylbis(4,5-dihydro-1,3-oxazole). It should be sealed and stored in cool and dry places.
Physical properties of 1,4-Bis(4,5-dihydro-2-oxazolyl)benzene are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.16; (6)ACD/BCF (pH 7.4): 7.94; (7)ACD/KOC (pH 5.5): 138.21; (8)ACD/KOC (pH 7.4): 153.29; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.18 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 59.08 cm3; (15)Molar Volume: 162.6 cm3; (16)Polarizability: 23.42×10-24 cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 148 °C; (20)Enthalpy of Vaporization: 60.16 kJ/mol; (21)Boiling Point: 378.3 °C at 760 mmHg; (22)Vapour Pressure: 1.38E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by N,N'-bis-(2-chloro-ethyl)-terephthalamide. This reaction will need reagent 40 percent KF on Al2O3 and solvent acetonitrile with the reaction time of 24 hours. The yield is about 86%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: N\1=C(\OCC/1)c3ccc(C/2=N/CCO\2)cc3
(2)InChI: InChI=1/C12H12N2O2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h1-4H,5-8H2
(3)InChIKey: ZDNUPMSZKVCETJ-UHFFFAOYAL