crotamiton

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:483-63-6

mdl number:mfcd00026989

einecs number:207-596-3

rtecs number:gq7000000

brn number:none

pubchem number:24847834

physical property data

1. character: undetermined

2. density (g/ m³,25/4℃): 0.987

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

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure):153

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

7. refractive index ：1.54

8. flash point (ºf):230

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 the partition coefficient for water: not ok

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

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

19. solubility: undetermined

toxicological data

acute toxicity: orally administered to ratsld50：1500mg/kg, no details except lethal dose;

rat transperitonealld50: 318mg/kg, no details except lethal dose;

rat subcutaneouslyld50: 1630mg/kg, no details except lethal dose;

mouse oral ld50: 1600mg/kg, no details except lethal dose;

mouse transabdominal ld50: 395mg/kg, no details except lethal dose;

mouse subcutaneouslyld50: 1393mg/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:64.01

2、 molar volume（m³/mol)：200.4

3, isotonic specific volume (90.2k): 498.3

4、 surface tension（dyne/cm)：38.1

5、 polarizability(10^-24cm³）：25.37

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.8

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 20.3

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 235

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: 1

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 yet

purpose

anti-scabies medicine, used to treat scabies and itchy skin.