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%.

Purpose

Uses: used in organic synthesis.