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| Name |
Isopropyl 2,4-dichlorophenoxyacetate |
EINECS | 202-305-6 |
| CAS No. | 94-11-1 | Density | 1.269 g/cm3 (20oC) |
| PSA | 35.53000 | LogP | 3.32380 |
| Solubility | 27.36mg/L(temperature not stated) | Melting Point |
24oC |
| Formula | C11H12 Cl2 O3 | Boiling Point | 323oC |
| Molecular Weight | 263.12 | Flash Point | 126.2°C |
| Transport Information | N/A | Appearance | Colorless liquid dependent on purity/. |
| Safety | Poison by ingestion. Experimental teratogenic and reproductive effects. Questionable carcinogen with experimental tumorigenic data. Used as a pesticide. When heated to decomposition it emits toxic fumes of Cl−. See also ESTERS. | Risk Codes | 22-41 |
| Molecular Structure |
|
Hazard Symbols |
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| Synonyms |
Aceticacid, (2,4-dichlorophenoxy)-, 1-methylethyl ester (9CI); Acetic acid,(2,4-dichlorophenoxy)-, isopropyl ester (6CI,8CI); 2,4-D Isopropyl ester;2,4-Dichlorophenoxyacetic acid isopropyl ester; Esteron 44; Isopropyl(2,4-dichlorophenoxy)acetate; Isopropyl 2,4-D ester; NSC 521749; Weedone 128 |
Article Data | 13 |
Isopropyl 2,4-dichlorophenoxyacetate Chemical Properties
IUPAC Name: Isopropyl 2-(2,4-dichlorophenoxy)acetate
CAS: 94-11-1
EINECS: 202-305-6
Product Categories: Alpha sort ; DAlphabetic ; DIO-DIZEnvironmental ; Standards ; Herbicides ; MetabolitesPesticides&Metabolites ; Pesticides&Metabolites ; Phenoxy structure .
Following is the Molecular Structure of Isopropyl-2,4-d ester (94-11-1):
SMILES: Clc1cc(Cl)ccc1OCC(=O)OC(C)C
InChI: InChI=1/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3
InChIKey: WHOKDONDRZNCBC-UHFFFAOYAJ
Std.InChI: InChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3
Std.InChIKey: WHOKDONDRZNCBC-UHFFFAOYSA-N
Molecular Formula: C11H12Cl2O3
Molecular Weight: 263.12
Boiling Point: 322.8℃ at 760mmHg
Flash Point: 126.2℃
Molar Volume: 207.2cm3
Density: 1.269g/cm3
Index of Refraction: 1.519
Molar Refractivity: 62.98cm3
Surface Tension: 38.7dyne/cm
Polarizability: 24.96 10-24cm3
Enthalpy of Vaporization: 56.47kJ/mol
Vapour Pressure: 0.000273mmHg at 25℃
Isopropyl 2,4-dichlorophenoxyacetate Uses
This chemical is used as a pesticide.
Isopropyl 2,4-dichlorophenoxyacetate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| chicken | LD50 | oral | 1420mg/kg (1420mg/kg) | GASTROINTESTINAL: GASTRITIS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LIVER: FATTY LIVER DEGERATION | American Journal of Veterinary Research. Vol. 15, Pg. 622, 1954. |
| guinea pig | LD50 | oral | 550mg/kg (550mg/kg) | GASTROINTESTINAL: GASTRITIS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LIVER: FATTY LIVER DEGERATION | American Journal of Veterinary Research. Vol. 15, Pg. 622, 1954. |
| mouse | LD50 | oral | 541mg/kg (541mg/kg) | GASTROINTESTINAL: GASTRITIS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LIVER: FATTY LIVER DEGERATION | American Journal of Veterinary Research. Vol. 15, Pg. 622, 1954. |
| rat | LD50 | oral | 700mg/kg (700mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C174, 1991. |
Isopropyl 2,4-dichlorophenoxyacetate Consensus Reports
IARC Cancer Review: Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man.15, 1977,p.111.(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) .
Isopropyl 2,4-dichlorophenoxyacetate Safety Profile
Hazard Codes: 
Xn Harmful.
Risk Statements: 22-41
R22: Harmful if swallowed.
R41: Risk of serious damage to eyes.
Safety Statements: 26-39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39: Wear eye/face protection.
RIDADR: 3348
RTECS: AG8750000
HazardClass: 6.1(b)
PackingGroup: III
Poison by ingestion. Experimental teratogenic and reproductive effects. Questionable carcinogen with experimental tumorigenic data.
Isopropyl 2,4-dichlorophenoxyacetate Specification
Isopropyl-2,4-d ester (94-11-1),which also can be called for (2,4-Dichlorophenoxy)-aceticaci1-methylethylester ; (2,4-Dichlorophenoxy)-aceticaci1-methylethylester[qr] ; (2,4-Dichloro-phenoxy)-aceticacid1-methylethylester ; (2,4-Dichlorophenoxy)-aceticaciisopropylester ; (2,4-Dichlorophenoxy)-aceticaciisopropylester[qr] ; 2,4-D,isopropylester[qr] ; 2,4-Dichlorophenoxyaceticacidisopropylester[qr] ; Acetic acid,(2,4-dichlorophenoxy)-,1-methylethyl ester .When Isopropyl-2,4-d ester (94-11-1) was heated, it emits toxic fumes of Cl− .
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