1,4-Bis(4,5-dihydro-2-oxazolyl)benzene supplier

Name
1,4-Bis(4,5-dihydro-2-oxazolyl)benzene
EINECS 231-066-0
CAS No. 7426-75-7
Article Data30
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point 146°C
Formula C₁₂H₁₂N₂O₂
Boiling Point 378.3 °C at 760 mmHg
Molecular Weight 216.239
Flash Point 148 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 43.18000
LogP 0.11140

1,4-Bis(4,5-dihydro-2-oxazolyl)benzene Specification

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%.

1,4-Bis(4,5-dihydro-2-oxazolyl)benzene can be prepared by N,N'-bis-(2-chloro-ethyl)-terephthalamide

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

Product Name

1,4-Bis(4,5-dihydro-2-oxazolyl)benzene

1,4-Bis(4,5-dihydro-2-oxazolyl)benzene Specification

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