Toluene diisocyanate manufacturer Knowledge 2,5-diphenyl-1,3,4-oxadiazole

2,5-diphenyl-1,3,4-oxadiazole

2,5-diphenyl-1,3,4-oxadiazole structural formula

Structural formula

Business number 07FN
Molecular formula C14H10N2O
Molecular weight 222.24
label

2,5-diphenyl-1,3,4-oxadiazole,

2,5-diphenyl-1,3,4-oxadiazole,

PPD,

2,5-Bisphenyl-1,3,4-Oxadiazole,

Heterocyclic compounds

Numbering system

CAS number:725-12-2

MDL number:MFCD00003102

EINECS number:211-968-0

RTECS number:RO0802500

BRN number:170385

PubChem number:24893625

Physical property data

1. Characteristics: white solid


2. Density (g/mL,25/4): Undetermined


3. Relative vapor density (g/mL,air=1): Undetermined


4. Melting point (ºC):138 -140


5. Boiling point (ºC,13mmHg):231


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index: undetermined


8. Flashpoint (ºC.13mmHg):231


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of partition coefficient (water): undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: insoluble in water

Toxicological data

Acute toxicity: Mouse oral LD50: 888 mg/kg

Ecological data

Slightly hazardous to water. Do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems. Do not discharge material into the surrounding environment without government permission

Molecular structure data

1. Molar refractive index: 63.91


2. Molar volumem3/ mol189.2


3. isotonic ratio90.2K496.2


4. Surface Tension(dyne/cm)47.2


5. Dielectric constant:


6. Dipole moment10 -24cm3)


7, Polarizability:25.33

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 38.9

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 210

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure, avoid contact with oxides

Storage method

Keep container tightly sealed Take it out of the container and store it in a cool, dry place

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/31070

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