Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester
RN: 13074-11-8
InChIKey: FFXJBGZEAHBHCF-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Insecticide

Molecular Formula

  • C11-H16-N-O6-P

Molecular Weight

  • 289.222
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • BRN 2295015
  • Dimethyl 3-isopropyl-4-nitrophenyl phosphate

Systematic Name

  • Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester

Registry Numbers

CAS Registry Number

  • 13074-11-8

System Generated Number

  • 0013074118

Structure Descriptors

InChI

1S/C11H16NO6P/c1-8(2)10-7-9(5-6-11(10)12(13)14)18-19(15,16-3)17-4/h5-8H,1-4H3

InChIKey

FFXJBGZEAHBHCF-UHFFFAOYSA-N

Smiles

O=P(OC)(OC)Oc1cc(C(C)C)c([N+](=O)[O-])cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 321mg/kg (321mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Archives of Toxicology. Vol. 41, Pg. 111, 1978.
mouse LD50 unreported > 500mg/kg (500mg/kg)   Bulletin of the World Health Organization. Vol. 44, Pg. 31, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.57 (none)   EXP
Water Solubility 36.9 mg/L 25 EST
Vapor Pressure 7.16E-06 mm Hg 25 EST
Henry's Law Constant 7.07E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.92E-12 cm3/molecule-sec 25 EST

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