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

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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

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Purpose

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