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4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE Structure

4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE

Chemical Properties

Melting point 63-65°C
Boiling point 346.25°C (rough estimate)
Density  1.1933 (rough estimate)
refractive index  1.4830 (estimate)
Flash point 9℃
storage temp.  Amber Vial, -20°C Freezer
solubility  DMF: 30 mg/ml, DMSO: 25 mg/ml, Ethanol: 25 mg/ml,
pka 3.19±0.10(Predicted)
BRN  3548355
Stability Stable. Incompatible with strong oxidizing agents.
InChI InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3
InChIKey FLAQQSHRLBFIEZ-UHFFFAOYSA-N
SMILES C(C1=CC=CN=C1)(=O)CCCN(C)N=O
CAS DataBase Reference 64091-91-4
IARC 1 (Vol. Sup 7, 89, 100E) 2012
EPA Substance Registry System 4-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (64091-91-4)

Safety Information

Hazard Codes  Xn,T,F
Risk Statements  26/27/28-45-43-40-22-39/23/24/25-23/24/25-11
Safety Statements  45-53-36/37-16
RIDADR  2811
WGK Germany  3
RTECS  OB6465000
HazardClass  6.1
PackingGroup  II
HS Code  38220090
Hazardous Substances Data 64091-91-4(Hazardous Substances Data)
Toxicity LD50 intraperitoneal in mouse: 1gm/kg

MSDS

Usage And Synthesis

4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE Supplier