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Substance Name: Benzaldehyde, p-nitro-, oxime
RN: 1129-37-9
InChIKey: WTLPAVBACRIHHC-VMPITWQZSA-N

Molecular Formula

  • C7-H6-N2-O3

Molecular Weight

  • 166.135
 
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Names and Synonyms

Synonyms

  • 4-Nitrobenzaldehyde oxime
  • 4-Nitrobenzaldoxime
  • AI3-61281
  • EINECS 214-445-5
  • NSC 68355
  • p-Nitrobenzaldehyde oxime
  • p-Nitrobenzaldoxime

Systematic Names

  • 4-Nitrobenzaldehyde oxime
  • Benzaldehyde, 4-nitro-, oxime (9CI)
  • Benzaldehyde, p-nitro-, oxime

Registry Numbers

CAS Registry Number

  • 1129-37-9

System Generated Number

  • 0001129379

Structure Descriptors

InChI

1S/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H/b8-5+

InChIKey

WTLPAVBACRIHHC-VMPITWQZSA-N

Smiles

[N+](c1ccc(\C=N\O)cc1)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 120mg/kg (120mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: GENERAL ANESTHETIC

BLOOD: NORMOCYTIC ANEMIA
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.
rat LD50 oral 180mg/kg (180mg/kg) BLOOD: NORMOCYTIC ANEMIA

BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.
rat LD50 skin 7100mg/kg (7100mg/kg) BLOOD: NORMOCYTIC ANEMIA

BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
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 126-130 deg C   EXP
log P (octanol-water) 1.95 (none)   EXP
Water Solubility 565 mg/L 25 EST
Vapor Pressure 7.47E-06 mm Hg 25 EST
Henry's Law Constant 1.41E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.52E-12 cm3/molecule-sec 25 EST

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