- 3-Isoxazolidinone
- 3-Isoxazolidinone,4,4'-[1,4-phenylenebis(methylidynenitrilo)]bis-
- 3-Isoxazolidinone,4,4-dimethyl-
- 3-Isoxazolidinone,4-amino-
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| Name |
3-Isoxazolidinone,4,4'-[1,4-phenylenebis(methylidynenitrilo)]bis- |
EINECS | 247-186-1 |
| CAS No. | 25683-71-0 | Density | 1.52 |
| PSA | 101.38000 | LogP | 0.04200 |
| Solubility | N/A | Melting Point |
204-205℃ |
| Formula | C14H14N4O4 | Boiling Point | N/A |
| Molecular Weight | 302.29 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
B 2360;Terivalidin;Terizidon;Terizidone;3-Isoxazolidinone,4,4'-[p-phenylenebis(methylidynenitrilo)]di- (7CI,8CI); |
3-Isoxazolidinone,4,4'-[1,4-phenylenebis(methylidynenitrilo)]bis- Synthetic route
- 25683-71-0
4,4'-{1,4-phenylenebis(methylidynenitrilo)}bis(isoxazolidin-3-one)
- 10049-07-7
rhodium(III)chloride
- 83616-92-6
Rh(trz)3Cl3*H2O
| Conditions | Yield |
|---|---|
| In acetone reflux; |
- 25683-71-0
4,4'-{1,4-phenylenebis(methylidynenitrilo)}bis(isoxazolidin-3-one)
- 15492-38-3
rhodium triiodide
| Conditions | Yield |
|---|---|
| In acetone reflux; |
- 25683-71-0
4,4'-{1,4-phenylenebis(methylidynenitrilo)}bis(isoxazolidin-3-one)
- 15608-29-4
rhodium(III) bromide
| Conditions | Yield |
|---|---|
| In acetone reflux; |
3-Isoxazolidinone,4,4'-[1,4-phenylenebis(methylidynenitrilo)]bis- Specification
The 3-Isoxazolidinone,4,4'-[1,4-phenylenebis(methylidynenitrilo)]bis- is an organic compound with the formula C14H14N4O4. The systematic name of this chemical is 4,4'-{benzene-1,4-diylbis[(E)methylylidenenitrilo]}bis(1,2-oxazolidin-3-one). With the CAS registry number 25683-71-0, it is also named as 4,4'-{1,4-Phenylenebis[(E)methylylidenenitrilo]}bis(1,2-oxazolidin-3-one).
Physical properties about 3-Isoxazolidinone,4,4'-[1,4-phenylenebis(methylidynenitrilo)]bis- are: (1)ACD/LogP: -0.85; (2)ACD/LogD (pH 5.5): -0.85; (3)ACD/LogD (pH 7.4): -0.85; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.18; (7)ACD/KOC (pH 7.4): 8.18; (8)#H bond acceptors: 8; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 83.8 Å2; (12)Index of Refraction: 1.691; (13)Molar Refractivity: 76.11 cm3; (14)Molar Volume: 198.8 cm3; (15)Polarizability: 30.17×10-24cm3; (16)Surface Tension: 62.5 dyne/cm; (17)Density: 1.52 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3NOCC3/N=C/c2ccc(/C=N/C1C(=O)NOC1)cc2
(2)InChI: InChI=1/C14H14N4O4/c19-13-11(7-21-17-13)15-5-9-1-2-10(4-3-9)6-16-12-8-22-18-14(12)20/h1-6,11-12H,7-8H2,(H,17,19)(H,18,20)/b15-5+,16-6+
(3)InChIKey: ODKYYBOHSVLGNU-IAGONARPBB
(4)Std. InChI: InChI=1S/C14H14N4O4/c19-13-11(7-21-17-13)15-5-9-1-2-10(4-3-9)6-16-12-8-22-18-14(12)20/h1-6,11-12H,7-8H2,(H,17,19)(H,18,20)/b15-5+,16-6+
(5)Std. InChIKey: ODKYYBOHSVLGNU-IAGONARPSA-N
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