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4-oxo-4-(3-pyridinebutanal)

4-oxo-4-(3-pyridinebutanal) Struktur
76014-80-7
CAS-Nr.
76014-80-7
Englisch Name:
4-oxo-4-(3-pyridinebutanal)
Synonyma:
4-Oxo-1-(3-pyridyl)-1-butanone;γ-Oxo-3-pyridinebutanal;4-Oxo-4-(3-pyridyl)butana;3-Pyridinebutanal, γ-oxo-;3-Pyridinebutanal, g-oxo-;4-oxo-4-(3-pyridinebutanal);4-oxo-4-(pyridin-3-yl)butanal
CBNumber:
CB91316444
Summenformel:
C9H9NO2
Molgewicht:
163.17326
MOL-Datei:
76014-80-7.mol

4-oxo-4-(3-pyridinebutanal) Eigenschaften

Siedepunkt:
290.25°C (rough estimate)
Dichte
1.2021 (rough estimate)
Brechungsindex
1.5460 (estimate)
storage temp. 
-20°C Freezer
L?slichkeit
Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand
Oil
pka
3.13±0.10(Predicted)
Farbe
Yellow to Very Dark Brown
InChI
InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2
InChIKey
CFONOJVUTZAMCB-UHFFFAOYSA-N
SMILES
c1c(C(=O)CCC=O)cncc1

Sicherheit

Toxizit?t dnd-rat-lvr 1 mmol/L CRNGDP 13,1447,92

4-oxo-4-(3-pyridinebutanal) Chemische Eigenschaften,Einsatz,Produktion Methoden

Chemische Eigenschaften

Yellow Oil

Verwenden

A metabolite of the tobacco-specific nitrosamine, NNK (Cat. #M32575). This compound is unstable and cannot be stored for more than six months.

Definition

ChEBI: A member of the class of butanals that is succinic semialdehyde in which the hydroxy group of the carboxylic acid function is replaced by a pyridin-3-yl group.

Sicherheitsprofil

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

4-oxo-4-(3-pyridinebutanal) Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte


4-oxo-4-(3-pyridinebutanal) Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.

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  • 4-oxo-4-(3-pyridinebutanal)
  • γ-Oxo-3-pyridinebutanal
  • 4-oxo-4-(pyridin-3-yl)butanal
  • 3-Pyridinebutanal, g-oxo-
  • 3-Pyridinebutanal, γ-oxo-
  • 4-Oxo-4-(3-pyridyl)butana
  • 4-Oxo-1-(3-pyridyl)-1-butanone
  • 76014-80-7
  • Various Metabolites and Impurities
  • Metabolites
  • Nicotine Derivatives
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