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Substance Name: Diisopropyl methylphosphonate
RN: 1445-75-6
UNII: 56V3OG5DC7
InChIKey: WOAFDHWYKSOANX-UHFFFAOYSA-N

Note

  • By-product of sarin manufacture.

Molecular Formula

  • C7-H17-O3-P

Molecular Weight

  • 180.1823
 
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Names and Synonyms

Name of Substance

  • Diisopropyl methylphosphonate

Synonyms

  • 4-04-00-03501 (Beilstein Handbook Reference)
  • BRN 1761635
  • Diisopropyl methanephosphonate
  • Diisopropyl methylphosphonate
  • DIMP
  • EINECS 215-896-0
  • HSDB 6864
  • UNII-56V3OG5DC7

Systematic Names

  • Bis(1-methylethyl) methylphosphonate
  • Methylphosphonic acid bis(1-methylethyl)ester
  • Phosphonic acid, methyl-, bis(1-methylethyl) ester
  • Phosphonic acid, methyl-, diisopropyl ester
  • Phosphonic acid, P-methyl-, bis(1-methylethyl) ester

Registry Numbers

CAS Registry Number

  • 1445-75-6

FDA UNII

  • 56V3OG5DC7

Other Registry Number

  • 169301-54-6

System Generated Number

  • 0001445756

Structure Descriptors

InChI

1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3

InChIKey

WOAFDHWYKSOANX-UHFFFAOYSA-N

Smiles

P(OC(C)C)(OC(C)C)(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - domestic LD50 oral 1gm/kg (1000mg/kg)   National Technical Information Service. Vol. AD-A087-257,
cattle LD50 oral 750mg/kg (750mg/kg)   National Technical Information Service. Vol. AD-A093-673,
duck LD50 oral 1490mg/kg (1490mg/kg)   National Technical Information Service. Vol. AD-A087-257,
mammal (species unspecified) LD50 oral 503mg/kg (503mg/kg)   National Technical Information Service. Vol. AD-A087-257,
mouse LD50 oral 1041mg/kg (1041mg/kg)   "Proceedings of the International Congress on Toxicology, Toxicology as a Predictive Science, 1st, Toronto, 1977," Plaa, G.L., and W.A. Duncan, eds., New York, Academic Press, Inc., 1978Vol. -, Pg. 450, 1978.
rat LD50 oral 826mg/kg (826mg/kg)   "Proceedings of the International Congress on Toxicology, Toxicology as a Predictive Science, 1st, Toronto, 1977," Plaa, G.L., and W.A. Duncan, eds., New York, Academic Press, Inc., 1978Vol. -, Pg. 450, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 1.03 (none)   EXP
Water Solubility 1500 mg/L 25 EXP
Henry's Law Constant 4.38E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.03E-11 cm3/molecule-sec 25 EST

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