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Basic Information
CAS No.: 94-11-1
Name: Isopropyl 2,4-dichlorophenoxyacetate
Article Data: 13
Molecular Structure:
Molecular Structure of 94-11-1 (Isopropyl 2,4-dichlorophenoxyacetate)
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:
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− .