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Cas Database |
| Name |
4-Pyridinealdoxime |
EINECS | 211-796-6 |
| CAS No. | 696-54-8 | Density | 1.14 g/cm3 |
| PSA | 45.48000 | LogP | 0.88970 |
| 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 | N/A | Appearance | fine crystalline powder |
| Safety | S26;S37/39 | Risk Codes | R20/22;R36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
Isonicotinaldehyde,oxime (6CI,8CI); 4-(Hydroxyiminomethyl)pyridine; 4-Pyridinaldoxime;4-Pyridinealdoxime; NSC 63847; Pyridine-4-carboxaldoxime |
Article Data | 40 |
4-Pyridinealdoxime Chemical Properties
Molecular Structure of 4-Pyridinealdoxime (CAS NO.696-54-8):
.png)
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: 
Xn
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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