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

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