2,6-dinitrotoluene

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:606-20-2

MDL number:MFCD00007158

EINECS number:210-106-0

RTECS number:XT1925000

BRN number:2052046

PubChem number:24869587

Physical property data

Physical property data:
1. Characteristics: Light yellow needle-like crystal.

2. Density (g/mL ,25/4℃):1.2833

4. Boiling Point (ºC):300

5. Solubility:Soluble in ethanol.

6. Toxicity:LD₅₀177mg/kg(Rat orally)

Toxicological data

None

Ecological data

3. Ecological data:

1, other harmful effects: This substance may be harmful to the environment, Bodies of water should be given special attention.

Molecular structure data

5. Molecular property data:

1、 Molar refractive index:44.16

2、 Molar volume (m³/mol):129.3

3、 Isotonic specific volume (90.2K):355.8

4、 Surface tension (): 57.2

5, Polarizability (10^-24cm³ ):17.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 91.6

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 198

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

1. Basic properties

Can evaporate with water vapor.

Storage method

2. Storage

This product should be kept sealed.

Synthesis method

3. Brief production method�

Obtained from the nitration of o-nitrotoluene with mixed acid. Production process and2,4-Same as dinitrotoluene.

Purpose

4. Purpose

Mostly used in industry2,4-Dinitrotoluene and2,6-Dinitrotoluene The mixture is reduced to 2,6/2,4-Diaminotoluene is then phosgenated to produce toluene Diisocyanate (TDI). It can also be used in other organic synthesis.

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