CAS 1570-48-5 1-(3-Pyridyl)propan-1-one (HCID 74074)

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Basic information

CAS: 1570-48-5
Standard SMILES: CCC(=O)c1cccnc1
InChIKey: VDNKJMUNLKAGAM-UHFFFAOYSA-N
Molecular formula: C8H9NO
Average molar mass: 135.16 g/mol
Monoisotopic mass: 135.06841391

Names & identifiers

Preferred name: 1-(3-Pyridyl)propan-1-one
IUPAC: 1-pyridin-3-ylpropan-1-one
English name: 3-Propionylpyridine
Molecular formula: C8H9NO
Molecular weight: 135.16

Names & synonyms

3-Propionylpyridine1570-48-5Ethyl 3-pyridyl ketone1-(3-Pyridyl)propan-1-oneEINECS 216-380-8DTXSID90166184RefChem:424124DTXCID5088675216-380-81-(pyridin-3-yl)propan-1-one1-pyridin-3-ylpropan-1-one3-Pyridyl ethyl ketone

Show more names

3-pyridylethylone3-Propionylpyridine>ETHYL 3-PYRIDYL KETONE3-Pyridinylethyl ketoneethyl pyridin-3-yl ketone3-PROPIONYLPYRIDINE, 98+%1-(3-Pyridyl)-1-propanone

1-(3-Pyridinyl)-1-propanoneMFCD000235891-PROPANONE, 1-(3-PYRIDINYL)-1-Propanone, 1-(3-pyridyl)-1-(3-Pyridinyl)-1-propanone #CS-W013351AB90701AC-15148

Database identifiers

CAS: 1570-48-5
PubChem CID: 74074
DTXSID: DTXSID90166184
EC Number: 216-380-8
Nikkaji: J45.600D

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Physicochemical properties

Melting point: 174 °C · 174 °C
Boiling point: 109 · 109-112°C/10mm
Density: 1 · 1,114 g/cm3
refractive index: 1.524 · 1.5240
Flash point: 109 · 109-112°C/10mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: clear liquid
pka: 2.96 · 2.96±0.11(Predicted)
color: Colorless to Light orange to Yellow
BRN: 111365 · 111365
CAS DataBase Reference: 1570 · 1570-48-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Risk Statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933399990
risk_code: 36
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25-26
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313