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Substance Name: Pyrazolynate [ISO]
RN: 58011-68-0
UNII: W6095Q94N6
InChIKey: ASRAWSBMDXVNLX-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C19-H16-Cl2-N2-O4-S

Molecular Weight

  • 439.317
 
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Names and Synonyms

Name of Substance

  • Pyrazolynate [ISO]

Synonyms

  • 1H-Pyrazol-4-ol, 4-(2,4-dichlorobenzoyl)-1,3-dimethyl-, p-toluenesulfonate
  • 4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-5-pyrazolyl p-toluenesulfonate
  • 5-25-02-00093 (Beilstein Handbook Reference)
  • BRN 0860937
  • Pyrazolate
  • Pyrazolynate
  • SW-751
  • UNII-W6095Q94N6

Systematic Name

  • Methanone, (2,4-dichlorophenyl)(1,3-dimethyl-5-(((4-methylphenyl)sulfonyl)oxy)-1H-pyrazol-4-yl)-

Registry Numbers

CAS Registry Number

  • 58011-68-0

FDA UNII

  • W6095Q94N6

Other Registry Number

  • 103678-91-7

System Generated Number

  • 0058011680

Structure Descriptors

InChI

1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3

InChIKey

ASRAWSBMDXVNLX-UHFFFAOYSA-N

Smiles

c1(c(OS(c2ccc(C)cc2)(=O)=O)n(C)nc1C)C(c1c(cc(Cl)cc1)Cl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3681mg/kg (3681mg/kg)   Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 36, Pg. 44, 1984.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 36, Pg. 44, 1984.
mouse LD50 skin > 5gm/kg (5000mg/kg)   Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 36, Pg. 44, 1984.
mouse LD50 subcutaneous > 8300mg/kg (8300mg/kg)   Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 36, Pg. 44, 1984.
rat LD50 intraperitoneal 1950mg/kg (1950mg/kg)   Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 36, Pg. 44, 1984.
rat LD50 oral 9550mg/kg (9550mg/kg)   Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 36, Pg. 44, 1984.
rat LD50 skin > 5gm/kg (5000mg/kg)   Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 36, Pg. 44, 1984.
rat LD50 subcutaneous > 6gm/kg (6000mg/kg)   Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 36, Pg. 44, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 118 deg C   EXP
log P (octanol-water) 3.9 (none)   EXP
Water Solubility 0.056 mg/L 25 EXP
Vapor Pressure 6.86E-12 mm Hg 25 EST
Henry's Law Constant 1.05E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.84E-11 cm3/molecule-sec 25 EST

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