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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;4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-BUTANONE;Chebi:32692;Nnk (carcinogen);NNK, 10 mM in DMSO;Nicotine-derived nitrosamine ketone;NNK 100 UG/ML IN NONANE/ETHANOL (9:1);4-(METHYLNITROSAMINO)-(3-PYRIDYL)-1-BUTANONE;4-(METHYLNITROSAMINE)-1-(3-PYRIDYL)-1-BUTANONE;4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-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
L?slichkeit
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
Henry's Law Constant
1.2×108 mol/(m3Pa) at 25℃, HSDB (2015)
Stabilit?t:
Stable. Incompatible with strong oxidizing agents.
Major Application
cleaning products
cosmetics
food and beverages
personal care
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 Sicherheitserkl?rung
  • Gefahreninformationscode (GHS)
Kennzeichnung gef?hrlicher Xn,T,F
R-S?tze: 26/27/28-45-43-40-22-39/23/24/25-23/24/25-11
S-S?tze: 45-53-36/37-16
RIDADR  2811
WGK Germany  3
RTECS-Nr. OB6465000
HazardClass  6.1
PackingGroup  II
HS Code  38220090
Speicherklasse 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Carc. 2
Skin Sens. 1
Giftige Stoffe Daten 64091-91-4(Hazardous Substances Data)
Toxizit?t LD50 intraperitoneal in mouse: 1gm/kg
Bildanzeige (GHS) Skull and Crossbones (GHS06)Health Hazard (GHS08)
Alarmwort Achtung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H301 Giftig bei Verschlucken. Akute Toxizit?t oral Kategorie 3 Achtung P264, P270, P301+P310, P321, P330,P405, P501
H317 Kann allergische Hautreaktionen verursachen. Sensibilisierung der Haut Kategorie 1A Warnung P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
H351 Kann vermutlich Krebs verursachen. Karzinogenit?t 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 zweckm??ig, 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-S?tze Betriebsanweisung:

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

S-S?tze Betriebsanweisung:

S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn m?glich, 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.

Reaktivit?t 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 H?ndler.

Global( 131)Lieferanten
Firmenname Telefon E-Mail Land Produktkatalog Edge Rate
Shenyang Zhongshen Zekang Biomedical Technology Research Co., Ltd
+86-18341751992 +86-15382112998
757984502@qq.com China 892 58
Accela ChemBio Inc.
+1-858-6993322
info@accelachem.com United States 21193 58
Fuxin Pharmaceutical
+86-021-021-50872116 +8613122107989
contact@fuxinpharm.com China 10000 58
TargetMol Chemicals Inc.
+1-781-999-5354; +17819995354
marketing@targetmol.com United States 32466 58
BOC Sciences
16314854226; +16314854226
inquiry@bocsci.com United States 19853 58
Shaanxi Didu New Materials Co. Ltd
+86-86-17392712697 +8617792793228
1069@dideu.com China 8585 58
Wuhan Topule Biopharmaceutical Co., Ltd
+8618327326525
masar@topule.com China 8467 58
HANGZHOU LEAP CHEM CO., LTD.
+86-571-87711850
market18@leapchem.com China 43333 58
Shanghai Acmec Biochemical Technology Co., Ltd.
+86-18621343501; +undefined18621343501
product@acmec-e.com China 33324 58
Aladdin Scientific

tp@aladdinsci.com United States 57505 58

  • n-methyl-n-nitroso-4-oxo-4-(3-pyridyl)butylamine
  • 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-(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)
  • 5-(N-Methyl-N-Nitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(N-Methyl-N-nitrosoamino)-1-(3-pyridyl)-1-butanone in acetonitrile
  • NNK, 10 mM in DMSO
  • 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), 100 μg/mL in Acetonitrile
  • Nitrosamine Mixture 697 100-400 μg/mL in Acetonitrile
  • YC/T 184-2004 Nitrosamines Mixture 689 1000 μg/mL in Dichloromethane
  • 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-BUTANONE
  • NNK
  • 64091-91-4
  • Mutagenesis Research Chemicals
  • Aromatics
  • Nicotine Derivatives
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