4-isopropyl antipyrine

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:479-92-5

mdl number:none

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character:undetermined

2. density (g/ m³,25/4℃): undetermined

3. relative vapor density (g/cm³,air=1): undetermined

4. melting point (ºc):102-105

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

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/logarithmic value of partition coefficient for water: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined

toxicological data

acute toxicity: orally administered to ratsld50：860mg/kg, no details except lethal dose;

orally administered to miceld50: 960mg/kg, no details except lethal dose;

mouse transabdominal ld50: 295mg/kg, exceptno detailed description other than the lethal dose;

cats pass through the mouthldlo: 150mg/kg, hyperexcitable convulsion or epilepsy;

rabbit oralldlo: 500mg/kg, hyperexcitable convulsion or epilepsy;

guinea pig oralld50: 1050mg/kg, no details except lethal dose.

ecological data

this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1、 molar refractive index:68.41

2、 molar volume（m³/mol)：212.8

3、 isotonic specific volume (90.2k):530.5

4、 surface tension（dyne/cm)：38.5

5、 polarizability(10^-24cm³）：27.12

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 23.6

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 340

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

use and store according to specifications, no decomposition will occur, and avoid contact with oxides

storage method

save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

synthesis method

none

purpose

none