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Substance Name: Quinmerac [ISO:BSI]
RN: 90717-03-6
UNII: 0OFY83UPMH
InChIKey: ALZOLUNSQWINIR-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C11-H8-Cl-N-O2

Molecular Weight

  • 221.6422
 
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Names and Synonyms

Name of Substance

  • 7-Chloro-3-methyl-quinoline-8-carboxylic acid
  • Quinmerac [ISO:BSI]

Synonyms

  • 7-Chloro-3-methyl-8-quinolinecarboxylic acid
  • BAS 518
  • BAS 51802H
  • BAS 518H
  • Quinmerac
  • UNII-0OFY83UPMH

Systematic Name

  • 8-Quinolinecarboxylic acid, 7-chloro-3-methyl-

Registry Numbers

CAS Registry Number

  • 90717-03-6

FDA UNII

  • 0OFY83UPMH

System Generated Number

  • 0090717036

Structure Descriptors

InChI

1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)

InChIKey

ALZOLUNSQWINIR-UHFFFAOYSA-N

Smiles

Cc1cc2ccc(c(c2nc1)C(=O)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
quail LD50 unreported > 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 9, Pg. 750, 1991.
rat LC50 inhalation > 5400mg/m3/4H (5400mg/m3)   Pesticide Manual. Vol. 9, Pg. 750, 1991.
rat LD50 oral > 5gm/kg (5000mg/kg)   Pesticide Manual. Vol. 9, Pg. 750, 1991.
rat LD50 skin > 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 9, Pg. 750, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 244 deg C   EXP
pKa Dissociation Constant 3.96 (none) 25 EXP
log P (octanol-water) 0.78 (none)   EXP
Water Solubility 223 mg/L 20 EXP
Atmospheric OH Rate Constant 4.37E-12 cm3/molecule-sec 25 EST

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