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Substance Name: 4-Nitrophenetole
RN: 100-29-8
UNII: O0A69I1MCU
InChIKey: NWPKEYHUZKMWKJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H9-N-O3

Molecular Weight

  • 167.163
 
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Names and Synonyms

Name of Substance

  • 4-Nitrophenetol
  • 4-Nitrophenetole

Synonyms

  • 1-Ethoxy-4-nitrobenzene
  • 4-06-00-01283 (Beilstein Handbook Reference)
  • 4-Ethoxynitrobenzene
  • 4-Nitrophenetole
  • AI3-00233
  • Benzene, 1-ethoxy-4-nitro-
  • BRN 0972473
  • CCRIS 2333
  • EINECS 202-837-9
  • Ethyl p-nitrophenyl ether
  • HSDB 5333
  • NSC 9812
  • p-Ethoxynitrobenzene
  • p-Nitrophenetol
  • p-Nitrophenetol [German]
  • p-Nitrophenetole
  • Phenetole, p-nitro-
  • UNII-O0A69I1MCU

Systematic Names

  • 1-Ethoxy-4-nitrobenzene
  • 4-Nitrophenetole
  • Benzene, 1-ethoxy-4-nitro-
  • p-Nitrophenetole
  • Phenetole, p-nitro- (8CI)

Superlist Names

  • 4-Nitrophenetole
  • Phenetole, p-nitro-

Registry Numbers

CAS Registry Number

  • 100-29-8

FDA UNII

  • O0A69I1MCU

System Generated Number

  • 0000100298

Structure Descriptors

InChI

1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3

InChIKey

NWPKEYHUZKMWKJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 7940mg/kg (7940mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
National Technical Information Service. Vol. OTS0534365,
rat LD50 intraperitoneal 2100mg/kg (2100mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BLOOD: OTHER CHANGES
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.
rat LD50 oral 3300mg/kg (3300mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BLOOD: HEMORRHAGE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0534365,
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 60 deg C   EXP
Boiling Point 283 deg C   EXP
log P (octanol-water) 2.53 (none)   EXP
Water Solubility 179 mg/L 25 EST
Vapor Pressure 6.23E-03 mm Hg 25 EST
Henry's Law Constant 1.67E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.86E-12 cm3/molecule-sec 25 EST

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