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Substance Name: 2-Nitrobenzaldehyde
RN: 552-89-6
UNII: 48B18Q9B8E
InChIKey: CMWKITSNTDAEDT-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

  • 2-Nitrobenzaldehyde

Synonyms

  • 2-Nitrobenzaldehyde
  • AI3-02415
  • Benzaldehyde, 2-nitro-
  • CCRIS 2322
  • EC 209-025-3
  • EINECS 209-025-3
  • NSC 5713
  • o-Nitrobenzaldehyde
  • UNII-48B18Q9B8E

Systematic Names

  • 2-Nitrobenzaldehyde
  • Benzaldehyde, 2-nitro-
  • Benzaldehyde, o-nitro-
  • o-Nitrobenzaldehyde

Registry Numbers

CAS Registry Number

  • 552-89-6

FDA UNII

  • 48B18Q9B8E

System Generated Number

  • 0000552896

Structure Descriptors

InChI

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

InChIKey

CMWKITSNTDAEDT-UHFFFAOYSA-N

Smiles

c1(c(cccc1)[N+](=O)[O-])C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Annales des Falsifications et de l'Expertise Chimique. Vol. 76(815), Pg. 65, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43.5 deg C   EXP
log P (octanol-water) 1.74 (none)   EXP
Water Solubility 2320 mg/L 25 EXP
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.