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