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Substance Name: 4-Nitroanisole
RN: 100-17-4
UNII: G989Z7WOLH
InChIKey: BNUHAJGCKIQFGE-UHFFFAOYSA-N

Note

  • Dye intermediate; organic synthesis.

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C7-H7-N-O3

Molecular Weight

  • 153.136
 
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Names and Synonyms

Name of Substance

  • 4-Nitroanisole

Synonyms

  • 1-Methoxy-4-nitrobenzene
  • 4-Methoxynitrobenzene
  • 4-Nitroanisole
  • AI3-00189
  • CCRIS 2321
  • EINECS 202-825-3
  • Nitroanisole
  • NSC 5507
  • p-Methoxynitrobenzene
  • p-Nitroanisol
  • p-Nitroanisole
  • UNII-G989Z7WOLH

Systematic Names

  • 4-Nitroanisole
  • Anisole, p-nitro-
  • Benzene, 1-methoxy-4-nitro-
  • p-Nitroanisole

Superlist Name

  • 4-Nitroanisole

Registry Numbers

CAS Registry Number

  • 100-17-4

FDA UNII

  • G989Z7WOLH

Other Registry Number

  • 721942-42-3

System Generated Number

  • 0000100174

Structure Descriptors

InChI

1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

InChIKey

BNUHAJGCKIQFGE-UHFFFAOYSA-N

Smiles

c1(ccc(OC)cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 698mg/kg (698mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Toxicology and Applied Pharmacology. Vol. 41, Pg. 216, 1977.
mouse LDLo oral 300mg/kg (300mg/kg)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 4, Pg. 91, 1962.
rat LD50 intraperitoneal 1400mg/kg (1400mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LIVER: FATTY LIVER DEGERATION

GASTROINTESTINAL: OTHER CHANGES
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.
rat LD50 oral 2300mg/kg (2300mg/kg)   Trudy Leningradskogo Sanitarno-Gigienicheskogo Meditsinskogo Instituta. Vol. 128, Pg. 14, 1979.
rat LD50 skin > 16gm/kg (16000mg/kg) LIVER: FATTY LIVER DEGERATION

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 54 deg C   EXP
Boiling Point 274 deg C   EXP
pKa Dissociation Constant -1.00E+01 (none) 25 EXP
log P (octanol-water) 2.03 (none)   EXP
Water Solubility 590 mg/L 30 EXP
Vapor Pressure 0.019 mm Hg 25 EST
Henry's Law Constant 1.26E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.46E-12 cm3/molecule-sec 25 EXP

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