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5742-19-8

Basic Information
CAS No.: 5742-19-8
Name: 2,4-Dichlorophenoxyacetic acid diethanolamine salt
Molecular Structure:
Molecular Structure of 5742-19-8 (2,4-Dichlorophenoxyacetic acid diethanolamine salt)
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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Specification

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