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Substance Name: Cloquintocet-mexyl [ISO]
RN: 99607-70-2
UNII: 99W15EH2M3
InChIKey: COYBRKAVBMYYSF-UHFFFAOYSA-N

Note

  • An herbicide safener.

Classification Codes

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formula

  • C18-H22-Cl-N-O3

Molecular Weight

  • 335.8288
 
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Names and Synonyms

Results Name

  • Cloquintocet-mexyl [ISO]

Name of Substance

  • Cloquintocet-mexyl
  • Cloquintocet-mexyl [ISO]

Synonyms

  • Cloquintocet-mexyl
  • EC 619-447-3
  • UNII-99W15EH2M3

Systematic Names

  • (RS)-1-Methylhexyl (5-chloroquinolin-8-yloxy) acetate
  • Acetic acid, ((5-chloro-8-quinolinyl)oxy)-, 1-methylhexyl ester
  • Acetic acid, 2-((5-chloro-8-quinolinyl)oxy)-, 1-methylhexyl ester

Registry Numbers

CAS Registry Number

  • 99607-70-2

FDA UNII

  • 99W15EH2M3

System Generated Number

  • 0099607702

Structure Descriptors

InChI

1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3

InChIKey

COYBRKAVBMYYSF-UHFFFAOYSA-N

Smiles

c1ccc2c(Cl)ccc(OCC(=O)O[C@@H](C)CCCCC)c2n1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 69.4 deg C   EXP
pKa Dissociation Constant 3.75 (none)   EXP
log P (octanol-water) 5.03 (none)   EXP
Water Solubility 0.59 mg/L 25 EXP
Vapor Pressure 4.00E-08 mm Hg 25 EXP
Henry's Law Constant 8.10E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.15E-11 cm3/molecule-sec 25 EST

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