1-(Pyridin-3-yl)pentane-1,3-dione
Basic information
- CAS
622403-56-9- Standard SMILES
CCC(=O)CC(=O)c1cccnc1- InChIKey
LKKOIDNJVDVBEB-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 1-(Pyridin-3-yl)pentane-1,3-dione
- IUPAC
- 1-pyridin-3-ylpentane-1,3-dione
- English name
- 1-(pyridin-3-yl)pentane-1,3-dione
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.19984
Names & synonyms
1-(pyridin-3-yl)pentane-1,3-dione622403-56-9RefChem:428557983-181-71-pyridin-3-ylpentane-1,3-dioneSCHEMBL11809006XZA40356AKOS009234037EN300-104936Z359504704
Database identifiers
- CAS
622403-56-9- PubChem CID
- 28896325
- EC Number
- 983-181-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
0 records
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Compound notes
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