Structural formula
| Business number | 028G |
|---|---|
| Molecular formula | C7H5Cl3 |
| Molecular weight | 195 |
| label |
2,4-Dichloro-1-(chloromethyl)benzene, 2,4-Dichlorobenzyl chloride, ?,2,4-trichlorotoluene |
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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