Product Name

  • Name

    4-Butyrylpyridine

  • EINECS
  • CAS No. 1701-71-9
  • Article Data15
  • CAS DataBase
  • Density 1.013g/cm3
  • Solubility
  • Melting Point
  • Formula C9H11 N O
  • Boiling Point 246.9°C at 760 mmHg
  • Molecular Weight 149.192
  • Flash Point 109.4°C
  • Transport Information
  • Appearance
  • Safety A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 1701-71-9 (4-Butyrylpyridine)
  • Hazard Symbols
  • Synonyms 1-Butanone,1-(4-pyridyl)- (6CI,7CI,8CI); 1-(4-Pyridyl)-1-butanone; 4-Pyridyl propyl ketone
  • PSA 29.96000
  • LogP 2.06440

Propyl 4-pyridyl ketone Chemical Properties

Molecule structure of Propyl 4-pyridyl ketone (CAS NO.1701-71-9):

IUPAC Name: 1-Pyridin-4-ylbutan-1-one 
Molecular Weight: 149.18974 g/mol
Molecular Formula: C9H11NO 
Density: 1.013 g/cm3 
Boiling Point: 246.9 °C at 760 mmHg 
Flash Point: 109.4 °C
Index of Refraction: 1.504
Molar Refractivity: 43.63 cm3
Molar Volume: 147.2 cm3
Polarizability: 17.29×10-24 cm3
Surface Tension: 38.2 dyne/cm 
Enthalpy of Vaporization: 48.4 kJ/mol
Vapour Pressure: 0.0265 mmHg at 25 °C
XLogP3: 1.1
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 149.084064
MonoIsotopic Mass: 149.084064
Topological Polar Surface Area: 30
Heavy Atom Count: 11
Complexity: 128
Canonical SMILES: CCCC(=O)C1=CC=NC=C1
InChI: InChI=1S/C9H11NO/c1-2-3-9(11)8-4-6-10-7-5-8/h4-7H,2-3H2,1H3
InChIKey of Propyl 4-pyridyl ketone (CAS NO.1701-71-9): FHHKAXDNIISDHM-UHFFFAOYSA-N

Propyl 4-pyridyl ketone Toxicity Data With Reference

1.    

ipr-mus LD50:270 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 14 (1971),551.

Propyl 4-pyridyl ketone Safety Profile

A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.

Propyl 4-pyridyl ketone Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Propyl 4-pyridyl ketone Specification

 Propyl 4-pyridyl ketone (CAS NO.1701-71-9) is also named as 1-(4-Pyridyl)-1-butanone ; 4-Butyrylpyridine ; 5-21-07-00437 (Beilstein Handbook Reference) ; BRN 0117155 ; Ketone, propyl 4-pyridyl ; Pyridine, 4-butyryl- ; 1-Butanone, 1-(4-pyridyl)- .

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View