3,4-dimethylbenzyl chloride (including isomers) 3,4-dimethylbenzyl chloride

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:102-46-5

mdl number:mfcd00000910

einecs number:203-032-5

rtecs number:none

brn number:none

pubchem number:24893459

physical property data

1. properties: undetermined

2. density (g/ml, 25℃): 1.056

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

4. melting point (ºc): undetermined

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

6. boiling point (ºc , 24mmhg): 116-117

7. refractive index: 1.54

8. flash point (ºc): undetermined

9. specific rotation ( º): not determined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 20ºc): not determined

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

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

14. critical temperature (ºc): undetermined determined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

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

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

19. solubility: undetermined

p>

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 45.66

2. molar volume (cm³/mol): 149.6

3. isotonic specific volume (90.2k ): 357.8

4. surface tension (dyne/cm): 32.6

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 18.10

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 101

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

�quality and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet