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Substance Name: 3-Nitrobenzonitrile
RN: 619-24-9
InChIKey: RUSAWEHOGCWOPG-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data

Molecular Formula

  • C7-H4-N2-O2

Molecular Weight

  • 148.121
 
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Names and Synonyms

Name of Substance

  • 3-Nitrobenzonitrile

Synonyms

  • 3-Cyanonitrobenzene
  • 3-Nitrobenzonitrile
  • AI3-16310
  • Benzonitrile, 3-nitro-
  • CCRIS 2327
  • EINECS 210-587-7
  • m-Cyanonitrobenzene
  • m-Nitrobenzonitrile
  • NSC 5382

Systematic Names

  • 3-Nitrobenzonitrile
  • Benzonitrile, 3-nitro-
  • Benzonitrile, m-nitro-
  • m-Nitrobenzonitrile

Registry Numbers

CAS Registry Number

  • 619-24-9

System Generated Number

  • 0000619249

Structure Descriptors

InChI

1S/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H

InChIKey

RUSAWEHOGCWOPG-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C#N)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 1gm/kg (1000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0571892,
mouse LDLo intraperitoneal 250mg/kg (250mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 216, 1954.
rat LDLo oral 50mg/kg (50mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0571892,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 116 deg C   EXP
log P (octanol-water) 1.17 (none)   EXP
Water Solubility 1710 mg/L 25 EST
Vapor Pressure 2.17E-03 mm Hg 25 EST
Henry's Law Constant 2.05E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.30E-14 cm3/molecule-sec 25 EST

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