2-methyl-6-nitroaniline

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:570-24-1

mdl number:mfcd00007744

einecs number:209-329-6

rtecs number:none

brn number:1868029

pubchem number:24869568

physical property data

1. physical property data

1. flashpoint (℃）：110

2. melting point (℃):93-96

3. solubility:water-soluble<0.1 g/100 ml at 23°c

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 41.85

2. molar volume (m³/mol）：119.8

3. isotonic specific volume (90.2k):326.2

4. surface tension ():54.9

5. polarizability（10^-24cm³):16.59

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 71.8

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 155

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

properties:

orange or yellow prismatic crystals. melting point97℃. soluble in alcohol, ether and benzene

and chloroform, slightly soluble in water.

storage method

none

synthesis method

for o-methylacetanilide70%nitro-o-methyl obtained by nitration with nitric acid

acetanilide, heated to boiling with concentrated hydrochloric acid, the reaction product is carried out

steam distillation to obtain6-nitro-o-toluidine, yield about50%.

preparation method:

purpose

uses: used in organic synthesis.