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