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| CAS No.: | 72-55-9 |
|---|---|
| Name: | 4,4'-DDE |
| Article Data: | 66 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H8 Cl4 |
| Molecular Weight: | 318.03 |
| Synonyms: | Benzene,1,1'-(dichloroethenylidene)bis[4-chloro- (9CI); Ethylene,1,1-dichloro-2,2-bis(p-chlorophenyl)- (7CI,8CI);1,1-Bis(4-chlorophenyl)-2,2-dichloroethene;1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene;1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene;1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene;2,2-Bis(4-chlorophenyl)-1,1-dichloroethylene; 2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene;4,4'-DDE; 4,4'-Dichlorodiphenyldichloroethylene; DDE; NSC 1153; p,p'-DDE;p,p'-Dichlorodiphenyldichloroethylene |
| Melting Point: | 87-90℃ |
| Flash Point: | 11oC |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | R22; R33 |
| Safety: | Suspected carcinogen with experimental carcinogenic and neoplastigenic data. Poison by ingestion. Experimental reproductive effects. Mutation data reported. An insecticide. When heated to decomposition it emits very toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, ALIPHATIC. |
| PSA: | 0.00000 |
| LogP: | 6.18790 |
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Chemistry
Molecular Structure of DDE (CAS NO.72-55-9):
EINECS: 200-784-6
IUPAC Name: 1-Chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
Molecular Formula: C14H8Cl4
Molecular Weight: 318.025320 g/mol
XLogP3: 7
H-Bond Donor: 0
H-Bond Acceptor: 0
Canonical SMILES: C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl
InChI: InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
InChIKey: UCNVFOCBFJOQAL-UHFFFAOYSA-N
Index of Refraction: 1.621
Molar Refractivity: 79.88 cm3
Molar Volume: 226.8 cm3
Surface Tension: 45.7 dyne/cm
Density: 1.402 g/cm3
Flash Point: 183.7 °C
Enthalpy of Vaporization: 60.68 kJ/mol
Boiling Point: 383.1 °C at 760 mmHg
Vapour Pressure: 9.95E-06 mmHg at 25 °C
Melting Point: 88-90 °C(lit.)
Water Solubility: 0.02653 mg/L at 25 °C
Storage Temp.: 4°C
BRN: 1913355
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| hamster | LD50 | oral | > 5gm/kg (5000mg/kg) | Laboratory Animal Science. Vol. 26, Pg. 274, 1976. | |
| mouse | LD50 | oral | 700mg/kg (700mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 400, 1946. | |
| rat | LD50 | oral | 880mg/kg (880mg/kg) | Toxicology and Applied Pharmacology. Vol. 14, Pg. 515, 1969. |
Consensus Reports
IARC Cancer Review: Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 5 (1974),p. 83.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NCI Carcinogenesis Bioassay (feed); Clear Evidence: mouse NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-131,78 . ; No Evidence: rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-131,78 . . EPA Genetic Toxicology Program.
Safety Profile
Safety Information of DDE (CAS NO.72-55-9):
Hazard Codes: Xn
, N
, T
, F
Risk Statements: 22-40-50/53-52/53-39/23/24/25-23/24/25-11-67-65-38
R22: Harmful if swallowed
R40: Limited evidence of a carcinogenic effect
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed
R11: Highly flammable
R67: Vapours may cause drowsiness and dizziness
R65: Harmful: may cause lung damage if swallowed
R38: Irritating to skin
Safety Statements: 36/37-60-61-45-16-7-62
S36/37: Wear suitable protective clothing and gloves
S60: This material and its container must be disposed of as hazardous waste
S61: Avoid release to the environment. Refer to special instructions / safety data sheets
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S16: Keep away from sources of ignition
S7: Keep container tightly closed
S62: If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
RTECS: KV9450000
Suspected carcinogen with experimental carcinogenic and neoplastigenic data. Poison by ingestion. Experimental reproductive effects. Mutation data reported. An insecticide. When heated to decomposition it emits very toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
Specification
DDE with CAS Registry Number of 72-55-9 is white - grey crystalline powder. It is also known as 1,1'-(Dichloroethenylidene)bis(4-chlorobenzene) ; 1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene ; 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene ; 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene ; 1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene ; 1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene ; 2,2-Bis(4-chlorophenyl)-1,1-dichloroethene ; 2,2-Bis(4-chlorophenyl)-1,1-dichloroethylene ; 2,2-Bis(p-chlorophenyl)-1,1-dichloroethylene ; 4,4'-DDE ; 4-05-00-02177 (Beilstein Handbook Reference) ; AI3-01715 ; Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro- ; CCRIS 193 ; DDE (VAN) ; DDT dehydrochloride ; Dichlorodiphenyl dichloroethene ; Dichlorodiphenyldichloroethylene ; Ethylene, 1,1-dichloro-2,2-bis(p-chlorophenyl)- ; HSDB 1625 ; NCI-C00555 ; NSC 1153 ; p,p'-(Dichlorodiphenyl)-2,2-dichloroethylene ; p,p'-DDE ; p,p'-Dichlorodiphenyl dichloroethylene ; p,p'-Dichlorodiphenyldichloroethylene ; Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro- (9CI) ; Ethylene, 1,1-dichloro-2,2-bis(p-chlorophenyl)- . It is used as agricultural pesticide. It is incompatible with strong oxidizing agents, strong bases. When heated to decomposition, it yields Hydrogen chloride , Carbon monoxide , irritating and toxic fumes and gases, Carbon dioxide .