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

4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE Struktur
64091-91-4
CAS-Nr.
64091-91-4
Englisch Name:
4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE
Synonyma:
NNK;Chebi:32692;Nnk (carcinogen);Nicotine-derived nitrosamine ketone;NNK 100 UG/ML IN NONANE/ETHANOL (9:1);4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-BUTANONE;4-(METHYLNITROSAMINO)-(3-PYRIDYL)-1-BUTANONE;4-(METHYLNITROSAMINE)-1-(3-PYRIDYL)-1-BUTANONE;4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE;4-(METHYLNITROSAMINO)-1-(3-PYRIDIYL)-1-BUTANONE
CBNumber:
CB0775599
Summenformel:
C10H13N3O2
Molgewicht:
207.23
MOL-Datei:
64091-91-4.mol

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

Schmelzpunkt:
63-65°C
Siedepunkt:
346.25°C (rough estimate)
Dichte
1.1933 (rough estimate)
Brechungsindex
1.4830 (estimate)
Flammpunkt:
9℃
storage temp. 
Amber Vial, -20°C Freezer
Löslichkeit
DMF: 30 mg/ml, DMSO: 25 mg/ml, Ethanol: 25 mg/ml,
pka
3.19±0.10(Predicted)
Aggregatzustand
Solid
Farbe
White to light yellow
BRN 
3548355
Stabilität:
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 Datenbank
64091-91-4
IARC
1 (Vol. Sup 7, 89, 100E) 2012
EPA chemische Informationen
4-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (64091-91-4)
Sicherheit
  • Risiko- und Sicherheitserklärung
  • Gefahreninformationscode (GHS)
Kennzeichnung gefährlicher Xn,T,F
R-Sätze: 26/27/28-45-43-40-22-39/23/24/25-23/24/25-11
S-Sätze: 45-53-36/37-16
RIDADR  2811
WGK Germany  3
RTECS-Nr. OB6465000
HazardClass  6.1
PackingGroup  II
HS Code  38220090
Giftige Stoffe Daten 64091-91-4(Hazardous Substances Data)
Toxizität LD50 intraperitoneal in mouse: 1gm/kg
Bildanzeige (GHS) GHS hazard pictogramsGHS hazard pictograms
Alarmwort Achtung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H301 Giftig bei Verschlucken. Akute Toxizität oral Kategorie 3 Achtung GHS hazard pictogramssrc="/GHS06.jpg" width="20" height="20" /> P264, P270, P301+P310, P321, P330,P405, P501
H317 Kann allergische Hautreaktionen verursachen. Sensibilisierung der Haut Kategorie 1A Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" /> P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
H351 Kann vermutlich Krebs verursachen. Karzinogenität Kategorie 2 Warnung P201, P202, P281, P308+P313, P405,P501
Sicherheit
P201 Vor Gebrauch besondere Anweisungen einholen.
P280 Schutzhandschuhe/Schutzkleidung/Augenschutz tragen.
P302+P352 BEI BERÜHRUNG MIT DER HAUT: Mit viel Wasser/... (Hersteller kann, falls zweckmäßig, ein Reinigungsmittel angeben oder, wenn Wasser eindeutig ungeeignet ist, ein alternatives Mittel empfehlen) waschen.

4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:

R26/27/28:Sehr giftig beim Einatmen, Verschlucken und Berührung mit der Haut.
R45:Kann Krebs erzeugen.
R43:Sensibilisierung durch Hautkontakt möglich.
R40:Verdacht auf krebserzeugende Wirkung.
R22:Gesundheitsschädlich beim Verschlucken.

S-Sätze Betriebsanweisung:

S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
S53:Exposition vermeiden - vor Gebrauch besondere Anweisungen einholen.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.

Chemische Eigenschaften

Off-White Crystals

Verwenden

This compound was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. Readily produces cancer in rats and hamsters

Vorbereitung Methode

NNK is not produced commercially. NNK is formed by oxidation and nitrosation of nicotine and is produced during the curing, aging, processing, and smoking of tobacco. NNK has been found in tobacco at levels up to 35 mg/kg, in snuff up to 8.3 mg/kg, and in cigarette smoke up to 0.5 mg per cigarette (179, 193). Common cigarette filters considerably reduce the amount of NNK that reaches the smoker. NNK is extracted from snuff by the saliva of users, and as much as 0.2 μg/g of saliva has been measured. Potential exposure to NNK is widespread also among those exposed to sidestream smoke and has been detected at 0.2–15.7 μg/ cigarette. Evidence from one comparative study of tobacco-specific nitrosamines in cigarettes suggests that levels of NNK (measured as a sum of all tobacco-specific nitrosamines) are higher in non-Moldovan cigarette tobacco and Moldovan blended cigarettes, suggesting that current tobacco production and manufacturing technologies may create conditions that favor N-nitrosation of alkaloids and other tobacco constituents.

Allgemeine Beschreibung

Pale yellow crystalline solid.

Air & Water Reaktionen

4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE may be sensitive to prolonged exposure to air and light.

Reaktivität anzeigen

A nitrated amine and ketone. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

Brandgefahr

Flash point data for 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE are not available; however, 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE is probably combustible.

Sicherheitsprofil

Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. An experimental teratogen. Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx.

Carcinogenicity

4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (NNK) is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.

4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte


4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

Global( 95)Lieferanten
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Shenyang Zhongshen Zekang Biomedical Technology Research Co., Ltd
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Fuxin Pharmaceutical
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Wuhan Jingkang en Biomedical Technology Co., Ltd
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orders@jknbiochem.com China 4692 58

  • n-methyl-n-nitroso-4-oxo-4-(3-pyridyl)butylamine
  • NNK
  • 4-(METHYLNITROSAMINE)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(METHYLNITROSAMINO)-1-(3-PYRIDIYL)-1-BUTANONE
  • 4-(METHYLNITROSAMINO)-(3-PYRIDYL)-1-BUTANONE
  • 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-BUTANONE
  • 4-(N-METHYLNITROSAMINO)-1-(3-PYRIDINYL)-1-BUTANONE
  • 4-(METHYL-N-NITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(1-Methyl-2-oxohydrazino)-1-(3-pyridinyl)-1-butanone
  • 4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanon
  • 4-(nitrosoamino-n-methyl)-1-(3-pyridyl)-1-butanone
  • 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone
  • 1-(3-Pyridyl)-4-(methylnitrosoamino)-1-butanone
  • 3-Pyridyl 3-(N-methyl-N-nitrosoamino)propyl ketone
  • 4-(N-Methylnitrosoamino)-1-(3-pyridyl)-1-butanone
  • 4-(N-Nitrosomethylamino)-1-(3-pyridyl)butan-1-one
  • 4-[Methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
  • Chebi:32692
  • Nnk (carcinogen)
  • 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone,4-(Methylnitrosamino)-1-(3-pyridinyl)-1-butanone, NNK
  • 4-(N-METHYL-N-NITROSOAMINO)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(MethylnitrosaMino)-1-(3-pyridyl)-1-butanone (1.0 Mg/ML in Acetonitrile)
  • 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) solution
  • 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanon
  • 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone, 98+%
  • 4-(Methylnitrosamino)-1-(3-pyridinyl)-1-butanone, NNK
  • 4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(n-methyl-n-nitrosoamino)-4-(3-pyridyl)-1-butanone
  • 4-(N-Nitroso-N-methylamino)-1-(3-pyridyl)-1-butanone
  • ketone,3-pyridyl3-(n-methyl-n-nitrosamino)propyl
  • NNK 100 UG/ML IN NONANE/ETHANOL (9:1)
  • Nicotine-derived nitrosamine ketone
  • Bcl2,inhibit,Inhibitor,NNK,Nicotine-nitrosated derivative,Lung cancer,c-Myc,Phosphorylation,Cell proliferation,Endogenous Metabolite
  • N-Nitrosonornicotine-ketone(mixture of isomers)
  • 64091-91-4
  • Mutagenesis Research Chemicals
  • Aromatics
  • Nicotine Derivatives
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