2,6-Toluene diisocyanate
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