Product Name

  • Name

    4-Pyridinealdoxime

  • EINECS 211-796-6
  • CAS No. 696-54-8
  • Article Data40
  • CAS DataBase
  • Density 1.14 g/cm3
  • Solubility 10 g/L (20 ºC)
  • Melting Point 130-134 ºC
  • Formula C6H6 N2 O
  • Boiling Point 195.6 °C at 760 mmHg
  • Molecular Weight 122.126
  • Flash Point 72.1 °C
  • Transport Information
  • Appearance fine crystalline powder
  • Safety S26;S37/39
  • Risk Codes R20/22;R36/37/38   
  • Molecular Structure Molecular Structure of 696-54-8 (4-Pyridinealdoxime)
  • Hazard Symbols
  • Synonyms Isonicotinaldehyde,oxime (6CI,8CI); 4-(Hydroxyiminomethyl)pyridine; 4-Pyridinaldoxime;4-Pyridinealdoxime; NSC 63847; Pyridine-4-carboxaldoxime
  • PSA 45.48000
  • LogP 0.88970

4-Pyridinealdoxime Chemical Properties

Molecular Structure of 4-Pyridinealdoxime (CAS NO.696-54-8):

IUPAC Name: 4-(nitrosomethylidene)-1H-pyridine 
Empirical Formula: C6H6N2O
Molecular Weight: 122.1246
EINECS: 211-796-6
Melting point: 131-133 °C
Water Solubility: 10 g/L (20 ºC)
BRN: 2079
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 45.48Å2
Index of Refraction: 1.56
Molar Refractivity: 34.604 cm3
Molar Volume: 107.048 cm3
Surface Tension: 44.44 dyne/cm
Density: 1.141 g/cm3
Flash Point: 94.799 °C
Enthalpy of Vaporization: 49.655 kJ/mol
Boiling Point: 233.139 °C at 760 mmHg
Vapour Pressure: 0.032 mmHg at 25°C
InChI
InChI=1/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H/b8-5+
Smiles
c1(ccncc1)\C=N\O
Product Categories: Pyridines, Pyrimidines, Purines and Pteredines; C6; Heterocyclic Building Blocks; Pyridines

4-Pyridinealdoxime Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   National Technical Information Service. Vol. AD691-490,

4-Pyridinealdoxime Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 20/22-36/37/38-20/21/22
R20/22:Harmful by inhalation and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: NR9410000
HS Code: 29333999

4-Pyridinealdoxime Specification

  4-Pyridinealdoxime , with CAS number of 696-54-8, can be called (Z)-N-Hydroxy-1-(4-pyridinyl)methanimine ; Pyridin-4-carbaldehydoxim ; 4-pyridinecarboxaldehyde, oxime . It is a white and very fine crystalline powder.

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