1-(Pyridin-3-yl)butan-1-one
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Basic information
- CAS
1701-70-8- Standard SMILES
CCCC(=O)c1cccnc1- InChIKey
JORUAYHMUWRFNM-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 1-(Pyridin-3-yl)butan-1-one
- IUPAC
- 1-pyridin-3-ylbutan-1-one
- English name
- 3-Butanoylpyridine
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
1-(Pyridin-3-yl)butan-1-oneDTXSID50332661RefChem:428547DTXCID40283754978-880-91701-70-81-PYRIDIN-3-YLBUTAN-1-ONE1-(3-Pyridinyl)-1-butanone3-Butyrylpyridine1-Butanone, 1-(3-pyridinyl)-3-ButanoylpyridineMFCD12153276
Show more names
Propyl pyridyl ketone1BS6AQ13XB1-(3-pyridyl)butan-1-one1-(3-Pyridyl)-1-butanone1-pyridin-3-yl-butan-1-one1-Butanone, 1-(3-pyridyl)-3-Butyroylpyridinepropyl 3-pyridyl ketone
Database identifiers
- CAS
1701-70-8- PubChem CID
- 459502
- DTXSID
DTXSID50332661- UNII
- 1BS6AQ13XB
- EC Number
- 978-880-9
- Nikkaji
- J114.001I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- 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
- 240 · 240-248 °C
- Density
- 1.043 g/cm3 · 1.043 g/cm3
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.25 · 3.25±0.10(Predicted)
- FDA UNII
- 1 BS6AQ13XB · 1BS6AQ13XB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
21 records
Compound notes
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