4,4′-diisocyanate-3,3′-dimethylbiphenylmethane

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:139-25-3

mdl number:mfcd00019910

einecs number:none

rtecs number:nq8820000

brn number:none

pubchem id:none

physical property data

none

toxicological data

acute toxicity data :

mouse abdominal cavity ld50：320mg/kg

ecological data

none

molecular structure data

molecular property data:

1、 molar refractive index：83.23

2, molar volume(m³/mol):251.5

3, isotonic specific volume（90.2k）：636.9

4, surface tension（3.0 dyne/cm span>): 41.1

5, polarizability（ 0.5 10^-24cm³): 32.99

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 6.2

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 58.9

7. number of heavy atoms: 21

8. surface charge: 0

9. complexity: 398

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

none

storage method

none

synthesis method

none

purpose

none

ly: arial; mso-font-kerning: 0pt; mso-fareast-font-family: arial”>10^-24cm³ ): 32.99

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 6.2

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 58.9

7. number of heavy atoms: 21

8. surface charge: 0

9. complexity: 398

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

none

storage method

none

synthesis method

none

purpose

none