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Substance Name: Phosphoric acid, dimethyl 3,5-dimethyl-4-nitrophenyl ester
RN: 50590-06-2
InChIKey: CSEMVYTXVZNGDN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N-O6-P

Molecular Weight

  • 275.1956
 
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Names and Synonyms

Synonym

  • Dimethyl 3,5-dimethyl-4-nitrophenyl phosphate

Systematic Name

  • Phosphoric acid, dimethyl 3,5-dimethyl-4-nitrophenyl ester

Registry Numbers

CAS Registry Number

  • 50590-06-2

System Generated Number

  • 0050590062

Structure Descriptors

InChI

1S/C10H14NO6P/c1-7-5-9(17-18(14,15-3)16-4)6-8(2)10(7)11(12)13/h5-6H,1-4H3

InChIKey

CSEMVYTXVZNGDN-UHFFFAOYSA-N

Smiles

Cc1cc(cc(c1[N+](=O)[O-])C)OP(=O)(OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 630mg/kg (630mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Archives of Toxicology. Vol. 41, Pg. 111, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.57 (none)   EXP
Water Solubility 44.4 mg/L 25 EST
Vapor Pressure 9.39E-06 mm Hg 25 EST
Henry's Law Constant 4.43E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.93E-12 cm3/molecule-sec 25 EST

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