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Oxazole,2,2'-(1,3-phenylene)bis[4,5-dihydro- (34052-90-9)

Identification
Name:Oxazole,2,2'-(1,3-phenylene)bis[4,5-dihydro-
Synonyms:2-Oxazoline,2,2'-m-phenylenebis- (8CI);1,3-Bis(2-oxazolin-2-yl)benzene;1,3-Bis(4,5-dihydro-2-oxazolyl)benzene;1,3-Di(2-oxazolin-2-yl)benzene;1,3-PBO;1,3-Phenylenebisoxazoline;2,2'-(1,3-Phenylene)bis(2-oxazoline);2,2'-(1,3-Phenylene)bis[4,5-dihydrooxazole];2,2'-m-Phenylenebis(2-oxazoline);BOX 210;CP Resin 1,3-PBO;CP Resin A;
CAS:34052-90-9
Molecular Formula: C12H12N2O2
Molecular Weight: 216.24
InChI: InChI=1/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2
Molecular Structure: (C12H12N2O2) 2-Oxazoline,2,2'-m-phenylenebis- (8CI);1,3-Bis(2-oxazolin-2-yl)benzene;1,3-Bis(4,5-dihydro-2-oxazoly...
Properties
Melting Point: 147-151 oC
Density:1.45
Refractive index:1.646
Specification:

This chemical is called 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene, and its systematic name is 2,2'-benzene-1,3-diylbis(4,5-dihydro-1,3-oxazole). With the molecular formula of C12H12N2O2, its molecular weight is 216.24. The CAS registry number of this chemical is 34052-90-9.

Other characteristics of the 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene can be summarised as followings: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 6.68; (6)ACD/BCF (pH 7.4): 7.93; (7)ACD/KOC (pH 5.5): 129.05; (8)ACD/KOC (pH 7.4): 153.14; (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: 23.42×10-24cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 159.8 °C; (20)Enthalpy of Vaporization: 62.93 kJ/mol; (21)Boiling Point: 403.5 °C at 760 mmHg; (22)Vapour Pressure: 2.36E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. Avoid contacting with skin and eyes. Do not breathe dust.

You can still convert the following datas into molecular structure:
1.SMILES: N\1=C(\OCC/1)c2cc(ccc2)C/3=N/CCO\3
2.InChI: InChI=1/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2
3.InChIKey: HMOZDINWBHMBSQ-UHFFFAOYAM
4.Std. InChI: InChI=1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2
5.Std. InChIKey: HMOZDINWBHMBSQ-UHFFFAOYSA-N

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