para-aminophenylene ether hydrochloride

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:637-56-9

mdl number:mfcd00035503

einecs number:211-292-6

rtecs number:si7051000

brn number:none

pubchem id:none

physical property data

1. character:.

2. density (g/ml,25/4℃):

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

4. melting point (ºc):

5. boiling point (ºc,normal pressure):

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

7. refractive index:

8. flash point (ºc):

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc):

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:.

toxicological data

1, acute toxicity: mouse (oral) ld50: 2,080 mg/kg
rat (oral)ld50： 1,180mg/kg

since the ld50 of table salt is 3,000 mg/kg, bpa has the same degree of acute toxicity as table salt.

ecological data

none yet

molecular structure data

1. molar refractive index: 41.80

2. molar volume (m³/mol):132.2

3. isotonic specific volume (90.2k):329.5

4. surface tension (dyne/cm):38.5

5. polarizability（10^-24cm³):16.57

compute chemical data

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

2. number of hydrogen bond donors: 2

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 35.2

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 87.3

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: 2

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

resource:allhdi.com