16543-55-8

Name N'-NITROSONORNICOTINE
CAS 16543-55-8
Molecular Formula C9H11N3O
MDL Number MFCD00870187
Molecular Weight 177.2
MOL File 16543-55-8.mol

Chemical Properties

Appearance white crystals
Melting point  47.1°C
Boiling point  309.13°C (rough estimate)
density  1.1669 (rough estimate)
refractive index  1.6500 (estimate)
storage temp.  Hygroscopic, Refrigerator, Under Inert Atmosphere
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 5.16±0.12(Predicted)
color  Off-White to Pale Beige
Stability: Stable, but air and light sensitive. Incompatible with oxidizing agents.
InChI InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m0/s1
InChIKey XKABJYQDMJTNGQ-VIFPVBQESA-N
SMILES N(N1CCC[C@H]1C1=CN=CC=C1)=O
IARC 1 (Vol. Sup 7, 89, 100E) 2012
EPA Substance Registry System N-Nitrosonornicotine (16543-55-8)

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
RIDADR  2810
HazardClass  6.1(b)
PackingGroup  III
Safety Profile
Confirmed carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Low toxicity by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
Hazardous Substances Data 16543-55-8(Hazardous Substances Data)
Toxicity
LD50 intraperitoneal in mouse: 1gm/kg

Hazard Information

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