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Substance Name: 1,3-Propanediol, 2,2-dinitro-
RN: 2736-80-3
InChIKey: IUKKSAGYDLAHGF-UHFFFAOYSA-N

Molecular Formula

  • C3-H6-N2-O6

Molecular Weight

  • 166.088
 
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Names and Synonyms

Synonyms

  • 2,2-Dinitro-1,3-propanediol
  • 4-01-00-02501 (Beilstein Handbook Reference)
  • BRN 1782070
  • EINECS 220-360-4
  • NSC 2694

Systematic Names

  • 1,3-Propanediol, 2,2-dinitro-
  • 2,2-Dinitropropane-1,3-diol

Registry Numbers

CAS Registry Number

  • 2736-80-3

System Generated Number

  • 0002736803

Structure Descriptors

InChI

1S/C3H6N2O6/c6-1-3(2-7,4(8)9)5(10)11/h6-7H,1-2H2

InChIKey

IUKKSAGYDLAHGF-UHFFFAOYSA-N

Smiles

O=[N+]([O-])C([N+]([O-])=O)(CO)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 76mg/kg (76mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 11(1), Pg. 73, 1977.
mouse LD50 oral 409mg/kg (409mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 98, 1999.