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Substance Name: Diethylene glycol dinitrate
RN: 693-21-0
UNII: 77W50O99G1
InChIKey: LYAGTVMJGHTIDH-UHFFFAOYSA-N

Molecular Formula

  • C4-H8-N2-O7

Molecular Weight

  • 196.1142
 
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Names and Synonyms

Name of Substance

  • Diethylene glycol dinitrate

Synonyms

  • 4-01-00-02412 (Beilstein Handbook Reference)
  • Bis(hydroxyaethyl)-aether-dinitrat
  • Bis(hydroxyaethyl)-aether-dinitrat [German]
  • BRN 1791998
  • CCRIS 3415
  • Di(hydroxyethyl) ether dinitrate
  • Diethylene glycol dinitrate
  • Diethylenglykoldinitrate
  • Diethylenglykoldinitrate [Czech]
  • Diglycol (dinitrate de)
  • Diglycol (dinitrate de) [French]
  • Diglycoldinitraat
  • Diglycoldinitraat [Dutch]
  • Diglykoldinitrat
  • Diglykoldinitrat [German]
  • Dinitrate de diethylene-glycol
  • Dinitrate de diethylene-glycol [French]
  • Dinitrodiglicol
  • Dinitrodiglicol [Italian]
  • Dinitrodiglykol
  • Dinitrodiglykol [Czech]
  • EC 211-745-8
  • EINECS 211-745-8
  • Ethanol, 2,2'-oxybisdinitrate
  • HSDB 7831
  • UNII-77W50O99G1

Systematic Names

  • Diethylene glycol, dinitrate
  • Diethyleneglycol dinitrate
  • Ethanol, 2,2'-oxybis-, 1,1'-dinitrate
  • Ethanol, 2,2'-oxybis-, dinitrate
  • Oxydiethylene dinitrate

Superlist Names

  • Diethylene glycol dinitrate [Forbidden]
  • Diethylene glycol dinitrate, desensitized with not <25% non-volatile water-insoluble phlegmatizer, by weight
  • Diethylene glycol dinitrate, desensitized with not <25% non-volatile water-insoluble phlegmatizer, by weight [UN0075] [Explosive 1.1D]
  • Diethylene glycol, dinitrate
  • UN0075

Registry Numbers

CAS Registry Number

  • 693-21-0

FDA UNII

  • 77W50O99G1

Other Registry Number

  • 66492-77-1

System Generated Number

  • 0000693210

Structure Descriptors

InChI

1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2

InChIKey

LYAGTVMJGHTIDH-UHFFFAOYSA-N

Smiles

[N+](=O)(OCCOCCO[N+](=O)[O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 650mg/kg (650mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 91, 1999.
mammal (species unspecified) LD50 unreported 1250mg/kg (1250mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(11), Pg. 13, 1974.
mouse LD50 intraperitoneal 1250mg/kg (1250mg/kg)   "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 91, 1999.
mouse LD50 oral 1250mg/kg (1250mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Hygiene, Epidemiology, Microbiology, and Immunology. Vol. 17, Pg. 114, 1973.
rabbit LD skin > 2gm/kg (2000mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: IRRITABILITY

BEHAVIORAL: TREMOR
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 12, Pg. 600, 1993.
rabbit LD50 oral 1060mg/kg (1060mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

CARDIAC: OTHER CHANGES
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 91, 1999.
rat LD50 oral 753mg/kg (753mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: TREMOR

BEHAVIORAL: IRRITABILITY
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 12, Pg. 602, 1993.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.13E+01 deg C   EXP
log P (octanol-water) 0.98 (none)   EXP
Water Solubility 3900 mg/L 25 EXP
Vapor Pressure 0.0059 mm Hg 25 EXP
Henry's Law Constant 3.90E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.26E-12 cm3/molecule-sec 25 EST

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