4-Benzoylpyridine
Basic information
- CAS
14548-46-0- Standard SMILES
O=C(c1ccccc1)c1ccncc1- InChIKey
SKFLCXNDKRUHTA-UHFFFAOYSA-N- Molecular formula
- C12H9NO
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.06841391
Overview
4-Benzoylpyridine is an aromatic ketone.
Names & identifiers
- Preferred name
- 4-Benzoylpyridine
- IUPAC
- phenyl(pyridin-4-yl)methanone
- English name
- 4-Benzoylpyridine
- Molecular formula
- C12H9NO
- Molecular weight
- 183.21
Names & synonyms
4-Benzoylpyridine14548-46-0Phenyl 4-pyridyl ketoneMethanone, phenyl-4-pyridinyl-Ketone, phenyl 4-pyridylPhenyl(4-pyridinyl)methanone4-Pyridyl phenyl ketonegamma-BenzoylpyridineBa 33215524YQ3O21TNSC-9488DTXSID6022262
Show more names
ba33215AKOS 92859AKOS B0224464-pyridylphenylketone4-BENZOYLPYRIDINE 98%
RefChem:97966DTXCID202262238-586-7phenyl(pyridin-4-yl)methanonePyridine, 4-benzoyl-4-benzoyl pyridine.gamma.-BenzoylpyridineNSC 9488
Database identifiers
- CAS
14548-46-0- PubChem CID
- 26731
- DTXSID
DTXSID6022262- ChEMBL
CHEMBL1446524- ChEBI
CHEBI:194620- UNII
- 524YQ3O21T
- EC Number
- 238-586-7
- Nikkaji
- J15.003G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
LogP1.9
Vapor Pressure0.000367 [mmHg]
Physical DescriptionLight yellow crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 68 · 68-72 °C
- Boiling point
- 315 °C · 315 °C
- Density
- 1.1261 · 1.1261 (rough estimate)
- refractive index
- 1.588 · 1.5880 (estimate)
- Flash point
- 150 °C · 150 °C
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- soluble in Methanol
- pka
- 3.14 · 3.14±0.10(Predicted)
- form
- Crystalline Powder or Crystalline Chunks
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationMethanone, phenyl-4-pyridinyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 520 mg/kg; [RTECS] An irritant; [Sigma-Aldrich MSDS] See Benzophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- OB6402000
- hs_code
- 29333999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25-36-26
- Hazard statements
- H315-H319-H335
Chemistry & industry
Uses & manufacturing
UsesUsed to measure reductase activity. [ChemIDplus]
General Manufacturing InformationMethanone, phenyl-4-pyridinyl-: INACTIVE
Applications
UsesOrganic synthesis.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 4-Benzoylpyridine is an aromatic ketone.
Suppliers
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Related reactions
23 records
Compound notes
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