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Substance Name: 4-Nitrophenyl acetate
RN: 830-03-5
UNII: I902J0QH9S
InChIKey: QAUUDNIGJSLPSX-UHFFFAOYSA-N

Note

  • Acetic acid ester of 4-nitrophenol.

Molecular Formula

  • C8-H7-N-O4

Molecular Weight

  • 181.146
 
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Names and Synonyms

Name of Substance

  • 4-Nitrophenyl acetate

Synonyms

  • 4-06-00-01298 (Beilstein Handbook Reference)
  • 4-Nitrophenyl acetate
  • Acetic acid p-nitrophenyl ester
  • AI3-00496
  • BRN 0515874
  • EINECS 212-593-5
  • NSC 2633
  • p-Acetoxynitrobenzene
  • p-Nitrophenol acetate
  • p-Nitrophenyl acetate
  • p-Nitrophenyl acetate (VAN)
  • UNII-I902J0QH9S

Systematic Names

  • 4-Nitrophenyl acetate
  • Acetic acid, 4-nitrophenyl ester
  • Acetic acid, p-nitrophenyl ester

Registry Numbers

CAS Registry Number

  • 830-03-5

FDA UNII

  • I902J0QH9S

System Generated Number

  • 0000830035

Structure Descriptors

InChI

1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3

InChIKey

QAUUDNIGJSLPSX-UHFFFAOYSA-N

Smiles

c1(ccc([N+](=O)[O-])cc1)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 340, 1953.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00217,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 78 deg C   EXP
log P (octanol-water) 1.5 (none)   EXP
Water Solubility 1160 mg/L 25 EST
Vapor Pressure 1.86E-03 mm Hg 25 EST
Henry's Law Constant 2.56E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.93E-13 cm3/molecule-sec 25 EST

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