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
