Structural formula
| Business number | 01H4 |
|---|---|
| Molecular formula | C14H8Cl4 |
| Molecular weight | 318.03 |
| label |
4,4′-DDE, 2,2-bis(p-chlorophenyl)-1-chloroethylene, 1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene, 1,1′-(dichlorovinylidene)bis(4-chlorobenzene), 1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene, 1,1-dichloro-2,2-bis(4-chorophenyl)ethylene, (ClC6H4)2C=CCl2, Organochlorine pesticides |
Numbering system
CAS number:72-55-9
MDL number:MFCD00003284
EINECS number:200-679-5
RTECS number:KV9450000
BRN number:1913355
PubChem number:24847587
Physical property data
1. Character: white crystal
2. Density (g/mL, 25/4℃): Uncertain
3. Relative vapor density (g/mL, air =1): Uncertain
4. Melting point (oC): 88-90
5. Boiling point (oC, normal pressure): Uncertain
6 . Boiling point (oC1.01kPa): 316.5
7. Refractive index: Uncertain
8. Flash point (oC): 11
9. Specific rotation Degree (o): Uncertain
10. Autoignition point or ignition temperature (oC): Uncertain
11. Vapor pressure (kPa, 25 oC): Uncertain
p>
12. Saturated vapor pressure (kPa, 60 oC): Uncertain
13. Heat of combustion (KJ/mol): Uncertain
14. Critical temperature ( oC): Uncertain
15. Critical pressure (KPa): Uncertain
16. Log value of oil-water (octanol/water) partition coefficient: Uncertain
17. Explosion upper limit (%, V/V): Uncertain
18. Explosion lower limit (%, V/V): Uncertain
19. Solubility: Soluble in most organic solvents
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 79.88
2. Molar volume (cm3/mol): 226.8
3. Isotonic specific volume (90.2K ): 589.8
4. Surface tension (dyne/cm): 45.7
5. Polarizability (10-24cm3): 31.66
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: None
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 18
8. Surface charge :0
9. Complexity: 269
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed, cool, dry and protected from light.
Synthesis method
None
Purpose
Organic synthesis. Pesticide residue analysis standards.
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Structural formula
| Business number | 01H3 |
|---|---|
| Molecular formula | C14H10Cl4 |
| Molecular weight | 320.04 |
| label |
4,4-Didi Didi, 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane, 2,2-Bis(4-chlorophenyl)-1,1-dichloroethane, 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane, p,p’-TDE, 2,2-Bis(4-chlorophenyl)-1,1-dichloroethane, Organochlorine pesticides |
Numbering system
CAS number:72-54-8
MDL number:MFCD00000851
EINECS number:200-783-0
RTECS number:KI0700000
BRN number:1914072
PubChem number:24891742
Physical property data
1. Character: white crystal
2. Density (g/mL, 25/4℃): Uncertain
3. Relative vapor density (g/mL, air =1): Uncertain
4. Melting point (oC): 94-96
5. Boiling point (oC, normal pressure): Uncertain
6 . Boiling point (oC, 5.2 kPa): Uncertain
7. Refractive index: Uncertain
8. Flash point (oC): 11
9. Specific rotation (o): Uncertain
10. Autoignition point or ignition temperature (oC): Uncertain
11. Vapor pressure (kPa, 25 oC): Uncertain
12. Saturated vapor pressure (kPa, 60 oC): Uncertain
13. Heat of combustion (KJ/mol): Uncertain
14. Critical Temperature (oC): Uncertain
15. Critical pressure (KPa): Uncertain
16. Log value of oil-water (octanol/water) partition coefficient: Uncertain
15. p>
17. Explosion upper limit (%, V/V): Uncertain
18. Explosion lower limit (%, V/V): Uncertain
19. Dissolution Properties: Soluble in ethanol and carbon tetrachloride
Toxicological data
Acute toxicity: Rat oral LD50: 113 mg/kg; Mouse oral LDLo: 600 mg/kg; Rabbit Administration onto the skin LD50: 1200 mg/kg; Hamster oral LD50: >5 mg/kg; tumorigenic : Rat oral TDLo: 54 gm/kg/78W-C; Mouse oral TDLo: 39 gm/kg/2Y-C;
Mutagenicity: Mouse embryo morphological transformation test system: 28400 nmol/L; Mouse Serratia marcescens host-mediated test system: 1500 mg/kg;
Ecological data
None
Molecular structure data
1. Molar refractive index: 79.65
2. Molar refractive index: 79.65
2.Volume (cm3/mol): 233.1
3. Isotonic volume (90.2K): 465.2
4. Surface tension (dyne/cm) : 44.6
5. Polarizability (10-24cm3): 31.57
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: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 218
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
Storage method
This product should be stored in a sealed, cool, dry and dark place.
Synthesis method
Prepared from o-bromochlorobenzene.
Purpose
Anti-neoplastic drugs used to treat adrenocortical cancer.
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