Basic information
- CAS
19437-26-4- Standard SMILES
O=C(c1ccccn1)c1ccccn1- InChIKey
QPOWUYJWCJRLEE-UHFFFAOYSA-N- Molecular formula
- C11H8N2O
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.06366288
Names & identifiers
- Preferred name
- Bis(2-pyridyl) ketone
- IUPAC
- dipyridin-2-ylmethanone
- English name
- DI-2-PYRIDYL KETONE
- Molecular formula
- C11H8N2O
- Molecular weight
- 184.19
Names & synonyms
Show more names
Database identifiers
- CAS
19437-26-4- PubChem CID
- 88065
- DTXSID
DTXSID20173068- EC Number
- 243-067-3
- Nikkaji
- J149.899A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 52 · 52-55 °C (lit.)
- Boiling point
- 115 · 115-125 °C(Press: 0.1 Torr)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 2.3 · 2.30±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless to yellow
- Water Solubility
- Low solubility in water.
- BRN
- 126598 · 126598
- InChI
- InChI=1S/C11H8N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8H
- InChIKey
- QPOWUYJWCJRLEE-UHFFFAOYSA-N
- SMILES
- C(C1=NC=CC=C1)(C1=NC=CC=C1)=O
- CAS DataBase Reference
- 19437 · 19437-26-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 10 · 10
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Usesdi-2-Pyridyl ketone has been used in the preparation of unusual {Ni(II)(3)Ln(III)(μ-OR)(6)}(3+) complexes with a "star" topology. Its monoanionic form has been used in the synthesis of triangular Ni(2)M (M = lanthanide, Y) complexes.
Usesdi-2-Pyridyl ketone has been used in the preparation of unusual {Ni(II)(3)Ln(III)(-OR)(6)}(3+) complexes with a "star" topology. Its monoanionic form has been used in the synthesis of triangular Ni(2)M (M = lanthanide, Y) complexes. The Schiff base ligands derived from di-2-pyridyl ketone exhibit ant proliferative activity in SK-N-MC neuroepithelioma (cancer) cells.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
Compound notes
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