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

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

CAS-Nr64091-91-4

Englisch Name:4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE

CBNumberCB0775599

SummenformelC10H13N3O2

Molgewicht207.23

MOL-Datei64091-91-4.mol

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

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

Gefahreninformationscode (GHS)

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
Definition
ChEBI: 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one is a nitrosamine and a member of pyridines.
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 Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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