4-methyl-2-nitrobenzene

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:119-10-8

mdl number:mfcd00024540

einecs number:204-296-4

rtecs number:none

brn number:none

pubchem number:24862822

physical property data

1. characteristics: yellow crystal.

2. density (g/ml,25℃): 1.205

3. relative vapor density (g/ml ,air =1): undetermined

4. melting point (ºc):8- 9

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc, 14mmhg): 154

7. refractive index:1.557

8. flashpoint (ºc): undetermined

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg,ºc): undetermined

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of the partition coefficient for water: undetermined

17. explosion limit (%, v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1, moore refractive index: 44.30

2, moore volume (m³/mol):141.5

3、 isotonic specific volume (90.2k) ：357.0

4, surface tension (dyne/cm):40.4

5、 polarizability (10^-24cm³):17.56

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: 3

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 55

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 166

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

al style=”background: white; margin: 0cm 0cm 0pt 77.75pt; text-indent: -54.75pt; line-height: 13.5pt; text-align: left; tab-stops: list 36.0pt; mso-pagination: wi -orphan; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>3、 isotonic specific volume (90.2k): 357.0

4, surface tension (dyne/cm):40.4

5、 polarizability (10^-24cm³):17.56

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: 3

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 55

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 166

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

��stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet