2-methyl nitrobenzoate

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:606-27-9

mdl number:mfcd00007136

einecs number:210-111-8

rtecs number:none

brn number:2050101

pubchem number:24849583

physical property data

physical property data:
1. characteristics: colorless liquid.

2. density (g/ml ,25/4℃):1.2855

3. refraction rate (nd20):1.5340

4. flashpoint (℃):＞110

5. melting point (℃):-13

6. boiling point (ºc,0.67kpaor5 mmhg): 275

7. solubility:soluble in ethanol, ether, methanol, chloroform and benzene , insoluble in water.

toxicological data

none yet

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

5. molecular property data:

1, molar refractive index:44.57

2, molar volume (m³/mol):139.1

3、 isotonic specific volume (90.2k): 367.6

4, surface tension (dyne/ cm): 48.6

5、 polarizability (10^-24cm³): 17.66

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: 2

5. number of tautomers: none

6. topological molecule polar surface area 72.1

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 211

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 and stability:

no decomposition products may occur under normal temperatures and pressures.

storage method

1. storage

should be sealed in a cool place save.

synthesis method

2. brief description of production method

by obtained from the reaction of o-nitrobenzoic acid and methanol.

purpose

3. purpose

used in organic synthesis.

resource:allhdi.com