Products Categories
| CAS No.: | 8053-21-2 |
|---|---|
| Name: | PROPANOIC ACID, 2-(2,4-DICHLOROPHENO-XY)-, mixture with (2,4-DICHLOROPHENO-XY)ACETIC ACID,(2,4,5-TRICHLOROPHENO-XY)ACETIC ACID and 2-(2,4,5-TRICHLORO-PHENOXY)PROPANOIC ACID |
| Molecular Structure: | |
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| Formula: | C9H8Cl2O3•C9H7Cl3O3•C8H6Cl2O3•C8H5Cl3O3 |
| Molecular Weight: | 981.10 |
| Density: | g/cm3 |
| Boiling Point: | 378.4°Cat760mmHg |
| Flash Point: | 182.6°C |
| Safety: | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−. |
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Chemistry
IUPAC Name: 2-(2,4-dichlorophenoxy)acetic acid; 2-(2,4-dichlorophenoxy)propanoic acid; 2-(2,4,5-trichlorophenoxy)acetic acid;2-(2,4,5-trichlorophenoxy)propanoic acid
Empirical Formula: C34H26Cl10O12
Molecular Weight: 981.093
H-Bond Donor: 4
H-Bond Acceptor: 12
Rotatable Bond Count: 12
Exact Mass: 979.825053
MonoIsotopic Mass: 975.830953
Topological Polar Surface Area: 186
Heavy Atom Count: 56
Formal Charge: 0
Complexity: 845
Flash Point: 182.6 °C
Enthalpy of Vaporization: 66.06 kJ/mol
Boiling Point: 378.4 °C at 760 mmHg
Vapour Pressure: 2.13E-06 mmHg at 25°C
Canonical SMILES: CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl.CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl.C1=CC(=C
(C=C1Cl)Cl)OCC(=O)O.C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O
InChI: InChI=1S/C9H7Cl3O3.C9H8Cl2O3.C8H5Cl3O3.C8H6Cl2O3/c1-4(9(13)14)15-8-3-6
(11)5(10)2-7(8)12;1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;9-4-1-6(11)7(2-5(4)
10)14-3-8(12)13;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h2-4H,1H3,(H,13,
14);2-5H,1H3,(H,12,13);1-2H,3H2,(H,12,13);1-3H,4H2,(H,11,12)
InChIKey: VNJMGALGBJNMRK-UHFFFAOYSA-N
Structure of Propanoic acid, 2-(2,4-dichlorophenoxy)-, mixt. with (2,4-dichlorophenoxy)acetic acid, (2,4,5-trichlorophenoxy)acetic acid and 2-(2,4,5-trichlorophenoxy)propanoic acid (CAS NO.8053-21-2):
.bmp)
Toxicity Data With Reference
| 1. | orl-rat LD50:900 mg/kg | FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1991,C323. |
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Specification
Propanoic acid, 2-(2,4-dichlorophenoxy)-, mixt. with (2,4-dichlorophenoxy)acetic acid, (2,4,5-trichlorophenoxy)acetic acid and 2-(2,4,5-trichlorophenoxy)propanoic acid , its cas register number is 8053-21-2. It also can be called Inverts of 2,4-D and 2,4-DP ; Visko-rhap low drift herbicides . When heated to decomposition it emits toxic vapors of NOx and Cl−. And Propanoic acid, 2-(2,4-dichlorophenoxy)-, mixt. with (2,4-dichlorophenoxy)acetic acid, (2,4,5-trichlorophenoxy)acetic acid and 2-(2,4,5-trichlorophenoxy)propanoic acid (CAS NO.8053-21-2) is moderately toxic by ingestion.