1-(Pyridin-2-yl)butan-1-one
Basic information
- CAS
22971-32-0- Standard SMILES
CCCC(=O)c1ccccn1- InChIKey
IWVHZRXWFIWOMH-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 1-(Pyridin-2-yl)butan-1-one
- IUPAC
- 1-pyridin-2-ylbutan-1-one
- English name
- 1-(Pyridin-2-yl)butan-1-one
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
22971-32-01-(pyridin-2-yl)butan-1-oneDTXSID60339464RefChem:428517DTXCID00290545834-454-32-BUTYRYLPYRIDINE1-Butanone, 1-(2-pyridinyl)-1-pyridin-2-ylbutan-1-oneMFCD007783191-(2-Pyridinyl)-1-butanonePyridylpropylketon
Show more names
2-Butanoylpyridine2-Pyridinylpropyl ketone
SCHEMBL745013XAA971321-Butanone, 1-(2-pyridyl)-SB52472AS-36707CS-0152465EN300-69117Z513733774
Database identifiers
- CAS
22971-32-0- PubChem CID
- 556348
- DTXSID
DTXSID60339464- EC Number
- 834-454-3
- Nikkaji
- J121.750J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 215 · 215-217 °C
- Density
- 1.04 g/cm3 · 1.040 g/cm3
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 3.02 · 3.02±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2933399990 · 2933399990
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
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
2 records
Compound notes
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