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Substance Name: Peroxyacetyl nitrate
RN: 2278-22-0
UNII: SQ8V0P4N89
InChIKey: VGQXTTSVLMQFHM-UHFFFAOYSA-N

Note

  • Important air pollutant.

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C2-H3-N-O5

Molecular Weight

  • 121.048
 
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Names and Synonyms

Name of Substance

  • Peroxyacetyl nitrate

Synonyms

  • BRN 1906650
  • CCRIS 5298
  • EINECS 218-905-6
  • HSDB 7552
  • Nitric acid, anhydride with peroxyacetic acid
  • Peroxyacetyl nitrate
  • UNII-SQ8V0P4N89

Systematic Names

  • Peroxide, acetyl nitro
  • Peroxyacetyl nitrate

Registry Numbers

CAS Registry Number

  • 2278-22-0

FDA UNII

  • SQ8V0P4N89

System Generated Number

  • 0002278220

Structure Descriptors

InChI

1S/C2H3NO5/c1-2(4)7-8-3(5)6/h1H3

InChIKey

VGQXTTSVLMQFHM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 106ppm/2H (106ppm)   Archives of Environmental Health. Vol. 15, Pg. 739, 1967.
rat LC50 inhalation 95ppm/4H (95ppm) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: EMPHYSEMA
Toxicology. Vol. 8, Pg. 231, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.190 (none)   EST
Water Solubility 1.46E+05 mg/L 25 EST
Vapor Pressure 29.2 mm Hg 25 EXP
Henry's Law Constant 2.78E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.00E-13 cm3/molecule-sec 25 EXP

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