2,6-toluene diisocyanate

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: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