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

3. melting point (℃):66

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.

resource:allhdi.com