Product Name

  • Name

    TERIZIDONE

  • EINECS 247-186-1
  • CAS No. 25683-71-0
  • Density 1.52
  • Solubility
  • Melting Point 204-205℃
  • Formula C14H14N4O4
  • Boiling Point
  • Molecular Weight 302.29
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 25683-71-0 (TERIZIDONE)
  • Hazard Symbols
  • Synonyms B 2360;Terivalidin;Terizidon;Terizidone;3-Isoxazolidinone,4,4'-[p-phenylenebis(methylidynenitrilo)]di- (7CI,8CI);
  • PSA 101.38000
  • LogP 0.04200

Synthetic route

4,4'-{1,4-phenylenebis(methylidynenitrilo)}bis(isoxazolidin-3-one)
25683-71-0

4,4'-{1,4-phenylenebis(methylidynenitrilo)}bis(isoxazolidin-3-one)

rhodium(III)chloride
10049-07-7

rhodium(III)chloride

Rh(trz)3Cl3*H2O
83616-92-6

Rh(trz)3Cl3*H2O

Conditions
ConditionsYield
In acetone reflux;
4,4'-{1,4-phenylenebis(methylidynenitrilo)}bis(isoxazolidin-3-one)
25683-71-0

4,4'-{1,4-phenylenebis(methylidynenitrilo)}bis(isoxazolidin-3-one)

rhodium triiodide
15492-38-3

rhodium triiodide

Rh(trz)3I3*2H2O

Rh(trz)3I3*2H2O

Conditions
ConditionsYield
In acetone reflux;
4,4'-{1,4-phenylenebis(methylidynenitrilo)}bis(isoxazolidin-3-one)
25683-71-0

4,4'-{1,4-phenylenebis(methylidynenitrilo)}bis(isoxazolidin-3-one)

rhodium(III) bromide
15608-29-4

rhodium(III) bromide

Rh(trz)3Br3*4H2O

Rh(trz)3Br3*4H2O

Conditions
ConditionsYield
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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