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Substance Name: 4-Nitrophthalimide
RN: 89-40-7
UNII: 26NA19UI3U
InChIKey: ANYWGXDASKQYAD-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H4-N2-O4

Molecular Weight

  • 192.13
 
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Names and Synonyms

Name of Substance

  • 4-Nitrophthalimide

Synonyms

  • 1H-Isoindole-1,3(2H)-dione, 5-nitro-
  • 4-Nitrophthalimide
  • 5-21-11-00158 (Beilstein Handbook Reference)
  • 5-Nitrophthalimide
  • AI3-00701
  • BRN 0180224
  • CCRIS 4685
  • EINECS 201-905-5
  • NSC 5394
  • UNII-26NA19UI3U

Systematic Names

  • 1H-Isoindole-1,3(2H)-dione, 5-nitro-
  • 4-Nitrophthalimide
  • Phthalimide, 4-nitro-

Registry Numbers

CAS Registry Number

  • 89-40-7

FDA UNII

  • 26NA19UI3U

System Generated Number

  • 0000089407

Structure Descriptors

InChI

1S/C8H4N2O4/c11-7-5-2-1-4(10(13)14)3-6(5)8(12)9-7/h1-3H,(H,9,11,12)

InChIKey

ANYWGXDASKQYAD-UHFFFAOYSA-N

Smiles

c12c(C(=O)NC2=O)ccc(c1)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 201 deg C   EXP
log P (octanol-water) 1.120 (none)   EST
Water Solubility 2180 mg/L 25 EST
Vapor Pressure 1.13E-09 mm Hg 25 EST
Henry's Law Constant 4.03E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.59E-12 cm3/molecule-sec 25 EST

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