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Substance Name: 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate
RN: 51486-57-8
InChIKey: BZJFTOLYBXIQHS-UHFFFAOYSA-N

Molecular Formula

  • C4-H6-N-O6-P

Molecular Weight

  • 195.0664
 
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Names and Synonyms

Synonyms

  • 2-01-00-00597 (Beilstein Handbook Reference)
  • 4-Nitro-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-oxide
  • BRN 1797089

Systematic Name

  • 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate

Registry Numbers

CAS Registry Number

  • 51486-57-8

System Generated Number

  • 0051486578

Structure Descriptors

InChI

1S/C4H6NO6P/c6-5(7)4-1-9-12(8,10-2-4)11-3-4/h1-3H2

InChIKey

BZJFTOLYBXIQHS-UHFFFAOYSA-N

Smiles

C1C2(COP(=O)(O1)OC2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 9500ug/kg (9.5mg/kg)   Science. Vol. 182, Pg. 1135, 1973.