1-Propanone, 1-(4-pyridyl)-

HCID 74343

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Basic information

CAS: 1701-69-5
Standard SMILES: CCC(=O)c1ccncc1
InChIKey: AFHFHXVRHACYSR-UHFFFAOYSA-N
Molecular formula: C8H9NO
Average molar mass: 135.166 g/mol
Monoisotopic mass: 135.06841391

Names & identifiers

Preferred name: 1-Propanone, 1-(4-pyridyl)-
IUPAC: 1-(Pyridin-4-yl)propan-1-one
English name: 4-PROPIONYLPYRIDINE
Molecular formula: C8H9NO
Molecular weight: 135.16

Names & synonyms

NSC 316194-propionyl-ethyl 4-pyridyl1-(Pyridin-4-yl)4-PROPIONYLPYRIDINEethyl4-pyridylketoneketone,ethyl4-pyridyl4-PYRIDYL ETHYL KETONEPyridine, 4-propionyl-1-(4-pyridyl)-1-propanon

Database identifiers

CAS: 1701-69-5
PubChem CID: 74343
DTXSID: DTXSID00168795
ChEMBL: CHEMBL2251614
UNII: GWM94I83NR
EC Number: 681-037-5
Nikkaji: J51.029G

Properties

Physicochemical properties

Boiling point: 89 · 89-90°C 2mm
Density: 1.034 · 1.034
refractive index: 1.522 · 1.5220
Flash point: 89 · 89-90°C/2mm
storage temp.: Inert atmosphere,Room Temperature
pka: 2.75 · 2.75±0.26(Predicted)
Appearance: Yellow to brown Liquid
BRN: 111366 · 111366
CAS DataBase Reference: 1701 · 1701-69-5
FDA UNII: 94 I83NR · GWM94I83NR
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-37/38-41
Safety Statements: 24 · 24/25-39-26
RTECS: 3800000 · UC3800000
Toxicity: 50 · mouse,LD50,intraperitoneal,680mg/kg (680mg/kg),Journal of Medicinal Chemistry. Vol. 14, Pg. 551, 1971.

Safety & regulation

Safety data

rtecs: UC3800000
Toxicity: mouse,LD50,intraperitoneal,680mg/kg (680mg/kg),Journal of Medicinal Chemistry. Vol. 14, Pg. 551, 1971.
risk_code: 22-37/38-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24/25-39-26
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338