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Substance Name: 1-Nitronaphthalene
RN: 86-57-7
UNII: A51NP1DL2T
InChIKey: RJKGJBPXVHTNJL-UHFFFAOYSA-N

Molecular Formula

  • C10-H7-N-O2

Molecular Weight

  • 173.1703
 

Classification Codes

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 1-Nitronaphthalene

Synonyms

  • 1-Nitronaftalen
  • 1-Nitronaftalen [Czech]
  • 1-Nitronaphthalene
  • 1-Nitronaphthaline
  • 4-07-00-01638 (Beilstein Handbook Reference)
  • AI3-00477
  • alpha-Nitronaphthalene
  • BRN 1867714
  • CCRIS 450
  • EINECS 201-684-5
  • HSDB 2887
  • Naphthalene, alpha-nitro-
  • NCI-C01956
  • Nitrol
  • Nitrol (pesticide)
  • Nitrol (VAN)
  • NSC 9584
  • UNII-A51NP1DL2T

Systematic Names

  • 1-Nitronaphthalene
  • Naphthalene, 1-nitro-

Superlist Name

  • 1-Nitronaphthalene

Registry Numbers

CAS Registry Number

  • 86-57-7

FDA UNII

  • A51NP1DL2T

System Generated Number

  • 0000086577

Structure Descriptors

InChI

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

InChIKey

RJKGJBPXVHTNJL-UHFFFAOYSA-N

Smiles

c12c(cccc1[N+](=O)[O-])cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 86mg/kg (86mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
JAT, Journal of Applied Toxicology. Vol. 4, Pg. 253, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61 deg C   EXP
Boiling Point 304 deg C   EXP
log P (octanol-water) 3.19 (none)   EXP
Water Solubility 9.18 mg/L 25 EXP
Henry's Law Constant 1.76E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 5.40E-12 cm3/molecule-sec 25 EXP

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