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Substance Name: Indoline, 6-nitro-
RN: 19727-83-4
InChIKey: LTNYDSMDSLOMSM-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H8-N2-O2

Molecular Weight

  • 164.163
 
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Names and Synonyms

Synonyms

  • 4-20-00-02904 (Beilstein Handbook Reference)
  • 6-Nitroindoline
  • BRN 0156434
  • CCRIS 3302
  • EINECS 243-257-6
  • Indoline, 6-nitro-
  • NSC 80658

Systematic Names

  • 1H-Indole, 2,3-dihydro-6-nitro- (9CI)
  • 6-Nitroindoline
  • Indoline, 6-nitro-

Registry Numbers

CAS Registry Number

  • 19727-83-4

System Generated Number

  • 0019727834

Structure Descriptors

InChI

1S/C8H8N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-2,5,9H,3-4H2

InChIKey

LTNYDSMDSLOMSM-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)[N+](=O)[O-])CCN2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00607,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 67-69 deg C   EXP
log P (octanol-water) 1.92 (none)   EXP
Water Solubility 612 mg/L 25 EST
Vapor Pressure 4.75E-04 mm Hg 25 EST
Henry's Law Constant 8.03E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.21E-11 cm3/molecule-sec 25 EST

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