2,4-dichlorobenzyl chloride

structural formula

business number	028g
molecular formula	c7h5cl3
molecular weight	195
label	2,4-dichloro-1-(chloromethyl)benzene, 2,4-dichlorobenzyl chloride, α,2,4-trichlorotoluene

• 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:94-99-5

mdl number:mfcd00000895

einecs number:202-381-0

rtecs number:none

brn number:387220

pubchem number:24861834

physical property data

1. properties: colorless liquid.

2. density (g/ml, 20℃): 1.407

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

4. melting point (ºc): -2.6

5. boiling point (ºc, normal pressure): 248

6. boiling point (ºc, 0.533kpa): 77.5-78

p>

7. refractive index: undetermined

8. flash point (ºc): >110

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

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

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

19. solubility: undetermined

toxicological data

1. acute toxicity: rat oral ld50: 1415mg/kg

ecological data

slightly harmful to water.

molecular structure data

1. molar refractive index: 45.80

2. molar volume (cm³/mol): 141.0

3. isotonic specific volume (90.2k ): 354.2

4. surface tension (dyne/cm): 39.8

5. polarizability (10-24cm3): 18.15

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: 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: 105

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

avoid contact with strong oxidants and alkalis.

storage method

stored sealed in a cool, dry place. make sure the workspace has good ventilation. keep away from fire sources and store away from oxidants and strong alkali.

synthesis method

none

purpose

intermediates of miconazole.

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