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CAS No.: | 5742-19-8 |
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Name: | 2,4-Dichlorophenoxyacetic acid diethanolamine salt |
Molecular Structure: | |
Formula: | C8H6Cl2O3.C4H11NO2 |
Molecular Weight: | 326.18 |
Synonyms: | 2-(2,4-dichlorophenoxy)acetic acid; 2-(2-hydroxyethylamino)ethanol;Diethanolamine 2,4-dichlorophenoxyacetate;2,4-D-Bis(2-hydroxyethyl)ammonium;Acetic acid, (2,4-dichlorophenoxy)-, diethanolamine salt;2,4-D Diethanolamine salt;Bis(2-hydroxyethyl)ammonium 2,4-dichlorophenoxyacetate;2,4-D Bis(2-hydroxyethyl)ammonium;Acetic acid, (2,4-dichlorophenoxy)-, compd. with 2,2-iminobis(ethanol) (1:1);Diethanolamine salt of 2,4-dichlorophenoxyacetic acid solution;EPA Pesticide Chemical Code 030016; |
EINECS: | 5742-19-8 |
Boiling Point: | 345.6 °C at 760 mmHg |
Flash Point: | 162.8 °C |
Transport Information: | 3345 |
PSA: | 99.02000 |
LogP: | 1.40830 |
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The 2,4-Dichlorophenoxyacetic acid diethanolamine salt , its cas register number is 5742-19-8. It also can be called as Diethanolamine (2,4-dichlorophenoxy)acetate and the IUPAC name about this chemical is 2-(2,4-dichlorophenoxy)acetic acid; 2-(2-hydroxyethylamino)ethanol.
Physical properties about 2,4-Dichlorophenoxyacetic acid diethanolamine salt are: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 0.09; (3)ACD/LogD (pH 7.4): -1.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.94; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53Å2; (12)Enthalpy of Vaporization: 62.24 kJ/mol; (13)BVapour Pressure: 2.31E-05 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(=O)O.C(CO)NCCO
(2)InChI: InChI=1S/C8H6Cl2O3.C4H11NO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;6-3-1-5-2-4-7/h1-3H,4H2,(H,11,12);5-7H,1-4H2
(3)InChIKey: FDMDZIBZKGXZPT-UHFFFAOYSA-N