4-Pyridinealdoxime

Modify Date: 2025-08-25 12:03:00

4-Pyridinealdoxime Structure
4-Pyridinealdoxime structure
Common Name 4-Pyridinealdoxime
CAS Number 696-54-8 Molecular Weight 122.125
Density 1.1±0.1 g/cm3 Boiling Point 233.1±13.0 °C at 760 mmHg
Molecular Formula C6H6N2O Melting Point 131-133 °C
MSDS N/A Flash Point 94.8±19.8 °C

 Names

Name Isonicotinaldehyde oxime
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 233.1±13.0 °C at 760 mmHg
Melting Point 131-133 °C
Molecular Formula C6H6N2O
Molecular Weight 122.125
Flash Point 94.8±19.8 °C
Exact Mass 122.048012
PSA 45.48000
LogP 0.77
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.560
InChIKey OFYLBLSSPQTTHT-YVMONPNESA-N
SMILES ON=Cc1ccncc1
Storage condition -20°C Freezer, Under Inert Atmosphere
Water Solubility 10 g/L (20 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NR9410000
CHEMICAL NAME :
Isonicotinaldehyde, oxime
CAS REGISTRY NUMBER :
696-54-8
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H6-N2-O
MOLECULAR WEIGHT :
122.14
WISWESSER LINE NOTATION :
T6NJ C1UNQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

 Safety Information

Hazard Codes Xn:Harmful;
Risk Phrases R20/22;R36/37/38
Safety Phrases S26-S36-S37/39
WGK Germany 3
RTECS NR9410000
HS Code 29333999

 Customs

HS Code 29333999

 Synonyms

EINECS 211-796-6
4-Pyridinecarboxaldehyde, oxime
4-Pyridinealdoxime
4-Pyridinecarboxamide
4-(HYDROXYIMINOMETHYL)PYRIDINE
pyridine-4-carboxamide
4-Pyridine carboxamide
(E)-N-Hydroxy-1-(4-pyridinyl)methanimine
(E)-N-hydroxy-1-(pyridin-4-yl)methanimine
4-pyridinecarboximidic acid
Isonicotinamide
Pyridine-4-carboximidic acid
MFCD00006446
ISONICOTINALDEHYDE, OXIME
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