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Substance Name: Pyrimidifen [ISO:BSI]
RN: 105779-78-0
UNII: I21MX86B4X
InChIKey: ITKAIUGKVKDENI-UHFFFAOYSA-N

Classification Code

  • Acaricides (Pyrimidinamine Acaricides)

Molecular Formula

  • C20-H28-Cl-N3-O

Molecular Weight

  • 377.9132
 
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Names and Synonyms

Name of Substance

  • Pyrimidifen [ISO:BSI]

Synonyms

  • Pyrimidifen
  • UNII-I21MX86B4X

Systematic Name

  • 5-chloro-N-(2-(4-(2-ethoxyethyl)-2,3-dimethylphenoxy)ethyl)-6-ethyl-4-pyrimidinamine

Registry Numbers

CAS Registry Number

  • 105779-78-0

FDA UNII

  • I21MX86B4X

System Generated Number

  • 0105779780

Structure Descriptors

InChI

1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)

InChIKey

ITKAIUGKVKDENI-UHFFFAOYSA-N

Smiles

CCc1c(c(ncn1)NCCOc2ccc(c(c2C)C)CCOCC)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 229mg/kg (229mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 241, 1999.
rat LD50 oral 115mg/kg (115mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 241, 1999.
rat LD50 skin > 2gm/kg (2000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 241, 1999.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 70 deg C   EXP
log P (octanol-water) 4.840 (none)   EST
Water Solubility 2.17 mg/L 25 EXP
Atmospheric OH Rate Constant 1.39E-10 cm3/molecule-sec 25 EST

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