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Substance Name: 4-Nitrobenzaldehyde
RN: 555-16-8
InChIKey: BXRFQSNOROATLV-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H5-N-O3

Molecular Weight

  • 151.1205
 
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Names and Synonyms

Name of Substance

  • 4-Nitrobenzaldehyde

Synonyms

  • 4-Nitrobenzaldehyde
  • AI3-52475
  • CCRIS 1675
  • EINECS 209-084-5
  • NSC 6103
  • p-Formylnitrobenzene
  • p-Nitrobenzaldehyde

Systematic Names

  • 4-Nitrobenzaldehyde
  • Benzaldehyde, 4-nitro-
  • Benzaldehyde, p-nitro-

Registry Numbers

CAS Registry Number

  • 555-16-8

System Generated Number

  • 0000555168

Structure Descriptors

InChI

1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H

InChIKey

BXRFQSNOROATLV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 545mg/kg (545mg/kg)   Hine Laboratories Reports. Vol. AF33(657)-11756, Pg. 1964,
rat LD50 oral 4700mg/kg (4700mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: NORMOCYTIC ANEMIA
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.
rat LD50 skin 16gm/kg (16000mg/kg) BLOOD: NORMOCYTIC ANEMIA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 107 deg C   EXP
log P (octanol-water) 1.56 (none)   EXP
Water Solubility 2340 mg/L 25 EXP
Vapor Pressure 3.54E-03 mm Hg 25 EST
Henry's Law Constant 5.30E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.70E-11 cm3/molecule-sec 25 EST

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