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Substance Name: Sodium 2,4,5-trichlorophenoxyethyl sulfate
RN: 3570-61-4
UNII: IWK6O1657B
InChIKey: NTOCDDPMRUNYHP-UHFFFAOYSA-M

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Skin / Eye Irritant

Molecular Formula

  • C8-H6-Cl3-O5-S.Na

Molecular Weight

  • 343.545
 
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Names and Synonyms

Name of Substance

  • Sodium 2,4,5-trichlorophenoxyethyl sulfate

Synonyms

  • 2,4,5-TES
  • 2-(2,4,5-Trichlorophenoxy)ethyl sulfate, sodium salt
  • Caswell No. 798
  • EPA Pesticide Chemical Code 398200
  • Natrin
  • Natrin herbicide
  • Sodium 2,4,5-trichlorophenoxyethyl sulfate
  • Sodium 2-(2,4,5-trichlorophenoxy)ethyl sulfate
  • UNII-IWK6O1657B

Systematic Name

  • Ethanol, 2-(2,4,5-trichlorophenoxy)-, hydrogen sulfate, sodium salt

Registry Numbers

CAS Registry Number

  • 3570-61-4

FDA UNII

  • IWK6O1657B

System Generated Number

  • 0003570614

Molecular Formulas

Molecular Formula

  • C8-H6-Cl3-O5-S.Na

Molecular Formula Fragments

  • C8-H6-Cl3-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C8H7Cl3O5S.Na/c9-5-3-7(11)8(4-6(5)10)15-1-2-16-17(12,13)14;/h3-4H,1-2H2,(H,12,13,14);/q;+1/p-1

InChIKey

NTOCDDPMRUNYHP-UHFFFAOYSA-M

Smiles

c1(c(cc(Cl)c(c1)Cl)Cl)OCCOS(=O)(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 400mg/kg (400mg/kg)   Union Carbide Data Sheet. Vol. 3/23/1973,
rat LD50 oral 720mg/kg (720mg/kg)   Residue Reviews. Vol. 10, Pg. 97, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.040 (none)   EST
Water Solubility 6.00E+04 mg/L 25 EXP
Vapor Pressure 3.27E-14 mm Hg 25 EST
Atmospheric OH Rate Constant 9.10E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.