Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Nitronaphthalene
RN: 581-89-5
UNII: V5NB52B64Q
InChIKey: ZJYJZEAJZXVAMF-UHFFFAOYSA-N

Molecular Formula

  • C10-H7-N-O2

Molecular Weight

  • 173.17
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-Nitronaphthalene

Synonyms

  • 2-Nitronaphthalene
  • 4-05-00-01675 (Beilstein Handbook Reference)
  • AI3-22413
  • beta-Nitronaphthalene
  • BRN 2046354
  • CCRIS 1206
  • EINECS 209-474-5
  • UNII-V5NB52B64Q

Systematic Names

  • 2-Nitronaphthalene
  • Naphthalene, 2-nitro-

Superlist Name

  • 2-Nitronaphthalene

Registry Numbers

CAS Registry Number

  • 581-89-5

FDA UNII

  • V5NB52B64Q

System Generated Number

  • 0000581895

Structure Descriptors

InChI

1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChIKey

ZJYJZEAJZXVAMF-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)[N+](=O)[O-])cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1300mg/kg (1300mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979.
rabbit LD50 oral 2650mg/kg (2650mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

LIVER: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 428, 1969.
rat LD50 oral 4400mg/kg (4400mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

LIVER: OTHER CHANGES
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 428, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 79 deg C   EXP
Boiling Point 314 deg C   EXP
log P (octanol-water) 3.24 (none)   EXP
Water Solubility 9.24 mg/L 25 EXP
Vapor Pressure 2.58E-04 mm Hg 25 EST
Henry's Law Constant 2.08E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.60E-12 cm3/molecule-sec 25 EXP

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