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| CAS No.: | 39277-47-9 |
|---|---|
| Name: | Agent Orange |
| Molecular Structure: | |
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| Formula: | C12H14Cl2O3•C12H13Cl3O3 |
| Molecular Weight: | 588.76 |
| Synonyms: | Agent Orange |
| Density: | g/cm3 |
| Boiling Point: | 371.9°Cat760mmHg |
| Flash Point: | 142.2°C |
| Safety: | Contains toxic impurities. An experimental teratogen. See also ESTERS. When heated to decomposition it emits toxic fumes of Cl−. |
| PSA: | 71.06000 |
| LogP: | 8.08440 |
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Chemistry
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IUPAC Name: butyl 2-(2,4-dichlorophenoxy)acetate; butyl2-(2,4,5-trichlorophenoxy)acetate
Canonical SMILES: CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl.CCCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
InChI: InChI=1S/C12H13Cl3O3.C12H14Cl2O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15;1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h5-6H,2-4,7H2,1H3;4-5,7H,2-3,6,8H2,1H3
Molecular Formula: C24H27Cl5O6
Molecular Weight: 588.7326g/mol
Mol File: 39277-47-9.mol
Boiling point: 371.9 °C at 760 mmHg
Flash Point: 142.2 °C
Enthalpy of Vaporization: 61.9 kJ/mol
Vapour Pressure: 9.97E-06 mmHg at 25 °C
H-Bond Donor: 0
H-Bond Acceptor: 6
Rotatable Bond Count: 14
Topological Polar Surface Area: 71.1
Heavy Atom Count: 35
Complexity: 499
Covalently-Bonded Unit Count of Agent Orange (CAS NO.39277-47-9): 2
Uses
Agent Orange (CAS NO.39277-47-9) is the code name for a herbicide and defoliant—contaminated with TCDD—used by the U.S. military in its Herbicidal Warfare program during the Vietnam War.
According to the post-war Vietnamese government, 4.8 million Vietnamese people were exposed to Agent Orange, resulting in 400,000 deaths and disabilities, and 500,000 children born with birth defects.
From 1961 to 1971, Agent Orange was by far the most widely used of the so-called "Rainbow Herbicides" employed in the herbicidal warfare program. During the production of Agent Orange (as well as Agents Purple, Pink, and Green) dioxins were produced as a contaminant, which have caused health problems for those exposed during the Vietnam War. Agents Blue and White were part of the same program but did not contain dioxins.
Toxicity Data With Reference
| 1. | orl-mus TDLo:1180 mg/kg (12-15D preg):TER | AECTCV Archives of Environmental Contamination and Toxicology. 6 (1977),33. |
Safety Profile
Contains toxic impurities. An experimental teratogen. See also ESTERS. When heated to decomposition it emits toxic fumes of Cl−.
Specification
Agent Orange ,its CAS NO. is 39277-47-9,the synonyms is 2,4,5-T n-Butyl ester mixed with 2,4-D n-butyl ester ; 2,4-D butyl ester mixt. with 2,4,5-T butyl ester ; 2,4-D n-Butyl ester mixed with 2,4,5-T n-butyl ester (1:1) ; (2,4-Dichlorophenoxy)acetic acid, butyl ester, mixt. with butyl (2,4,5-trichlorophenoxy)acetate ; Acetic acid, 2,4-dichlorophenoxy-, butyl ester and 2,4,5-trichlorophenoxyacetic acid (45.5%:48.2%) ; Acetic acid, (2,4-dichlorophenoxy)-, butyl ester, mixt. with butyl (2,4,5-trichlorophenoxy)acetate .