Product Name

  • Name

    Pyrazoxyfen

  • EINECS
  • CAS No. 71561-11-0
  • Article Data4
  • CAS DataBase
  • Density 1.33 g/cm3
  • Solubility
  • Melting Point 111.5 °C
  • Formula C20H16Cl2N2O3
  • Boiling Point 599.9 ºC at 760 mmHg
  • Molecular Weight 403.265
  • Flash Point 316.6 ºC
  • Transport Information
  • Appearance
  • Safety 61
  • Risk Codes 22-50
  • Molecular Structure Molecular Structure of 71561-11-0 (Pyrazoxyfen)
  • Hazard Symbols Xn,N
  • Synonyms 1,3-Dimethyl-4-(2,4-dichlorobenzoyl)-5-phenacyloxypyrazole;Paicer;Pyrazoxyfen;SL 49;SL 49 (herbicide);
  • PSA 61.19000
  • LogP 4.52800

Pyrazoxyfen Specification

The Pyrazoxyfen, with the CAS registry number 71561-11-0, has the IUPAC name of 2-[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl]oxy-1-phenylethanone.

The physical properties of this chemical are as follows: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 291.67; (6)ACD/BCF (pH 7.4): 291.67; (7)ACD/KOC (pH 5.5): 2022.9; (8)ACD/KOC (pH 7.4): 2022.9; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 61.19; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 106 cm3; (15)Molar Volume: 302.3 cm3; (16)Polarizability: 42.02×10-24 cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 316.6 °C; (20)Enthalpy of Vaporization: 89.31 kJ/mol; (21)Boiling Point: 599.9 °C at 760 mmHg; (22)Vapour Pressure: 2.37E-14 mmHg at 25°C; (23)Exact Mass: 402.053798; (24)MonoIsotopic Mass: 402.053798; (25)Topological Polar Surface Area: 61.2; (26)Heavy Atom Count: 27; (27)Complexity: 541.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)OCC(=O)C3=CC=CC=C3)C
(2)InChI: InChI=1S/C20H16Cl2N2O3/c1-12-18(19(26)15-9-8-14(21)10-16(15)22)20(24(2)
23-12)27-11-17(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
(3)InChIKey: FKERUJTUOYLBKB-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 659mg/kg (659mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 13, Pg. 167, 1988.
mouse LD50 oral > 8450mg/kg (8450mg/kg)   Japan Pesticide Information. Vol. (45), Pg. 24, 1984.
mouse LD50 subcutaneous > 8450mg/kg (8450mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 13, Pg. 167, 1988.
rat LC50 inhalation > 280mg/m3 (280mg/m3)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 13, Pg. 167, 1988.
rat LD50 intraperitoneal 308mg/kg (308mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 13, Pg. 167, 1988.
rat LD50 oral 1644mg/kg (1644mg/kg)   Japan Pesticide Information. Vol. (45), Pg. 24, 1984.
rat LD50 skin > 5gm/kg (5000mg/kg)   Japan Pesticide Information. Vol. (45), Pg. 24, 1984.
rat LD50 subcutaneous 4920mg/kg (4920mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 13, Pg. 167, 1988.

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