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| CAS No.: | 94-11-1 |
|---|---|
| Name: | Isopropyl 2,4-dichlorophenoxyacetate |
| Molecular Structure: | |
|
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| Formula: | C11H12 Cl2 O3 |
| Molecular Weight: | 263.12 |
| 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 |
| EINECS: | 202-305-6 |
| Density: | 1.269 g/cm3 (20oC) |
| Melting Point: | 24oC |
| Boiling Point: | 323oC |
| Flash Point: | 126.2°C |
| Solubility: | 27.36mg/L(temperature not stated) |
| Appearance: | Colorless liquid dependent on purity/. |
| Hazard Symbols: |
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| Risk Codes: | 22-41 |
| 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. |
| PSA: | 35.53000 |
| LogP: | 3.32380 |
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Chemistry
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℃
Uses
This chemical is used as a pesticide.
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. |
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) .
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.
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− .