1,2-diphenylamineethane

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:150-61-8

mdl number:mfcd00003019

einecs number:205-765-6

rtecs number:kv4800000

brn number:646740

pubchem id:none

physical property data

1. physical property data:

1. character:white crystal.

2. flash point (ºc):228 ºc

3. melting point (℃): 67.5

4. boiling point (ºc,1.60kpa ): 228～230

5. solubility: easily soluble in ethanol and ether, insoluble in water.

6. density (g/ml, 25/4℃): 1.14

toxicological data

2. toxicological data:

1, acute toxicity: rat oral ldlo：500 mg/kg

ecological data

3. ecological data:

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

molecular structure data

5. molecular property data:

1. molar refractive index:69.67

2. molar volume (m³/ mol):189.2

3. isotonic specific volume (90.2k): 500.1

4. surface tension (dyne/cm): 48.7

5. polarizability（10^-24cm³):27.62

schedulinglign=left>5. molecular property data:

1. molar refractive index:69.67

2. molar volume (m³/ mol):189.2

3. isotonic specific volume (90.2k): 500.1

4. surface tension (dyne/cm): 48.7

5. polarizability（10^-24cm³):27.62

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.6

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 5

5. number of tautomers: none

6. topological molecule polar surface area 24.1

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 150

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.

storage method

should be sealed and stored in a cool place.

synthesis method

none

purpose

for the determination of aldehydes. stabilizer for rubber and resins. intermediates for the manufacture of antihistamine drugs.

�chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.6

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 5

5. number of tautomers: none

6. topological molecule polar surface area 24.1

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 150

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.

storage method

should be sealed and stored in a cool place.

synthesis method

none

purpose

for the determination of aldehydes. stabilizer for rubber and resins. intermediates for the manufacture of antihistamine drugs.