structural formula
| business number | 0232 |
|---|---|
| molecular formula | c9h6n2o2 |
| molecular weight | 174.16 |
| label |
toluene-2,6-diisocyanate, 1,3-diisocyanato-2-methylbenzene, 2-methyl-m-phenylene diisocyanate, 2,6-tdi, ch3c6h3(nco)2 |
numbering system
cas number:91-08-7
mdl number:mfcd00002010
einecs number:202-039-0
rtecs number:cz6310000
brn number:2211546
pubchem number:24860270
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 49.09
2. molar volume (cm3/mol): 152.0
3. isotonic specific volume (90.2k ): 390.3
4. surface tension (dyne/cm): 43.4 ±
5. polarizability (10-24cm3): 19.46
compute chemical data
1. hydrophobic parameter calculation reference value (xlogp): 3.9
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 2
5. number of tautomers:
6. topological molecular polar surface area (tpsa): 58.9
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 239
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 number: 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
