4,4′-diisocyanate-3,3′-dimethylbiphenylmethane
structural formula
| business number | 03sb |
|---|---|
| molecular formula | c17h14n2o2 |
| molecular weight | 278.31 |
| label |
3,3′-dimethyldiphenylmethane-4,4′-diisocyanate, aromatic compounds |
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
