1-(3-Methylpyridin-2-yl)propan-1-one
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Basic information
- CAS
917872-34-5- Standard SMILES
CCC(=O)c1ncccc1C- InChIKey
DBAMXXXFQSQXMV-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 1-(3-Methylpyridin-2-yl)propan-1-one
- IUPAC
- 1-(3-methyl-2-pyridinyl)propan-1-one
- English name
- 2-Propanoyl-3-picoline
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
917872-34-51-(3-METHYLPYRIDIN-2-YL)PROPAN-1-ONEDTXSID30727899RefChem:424077DTXCID60678643997-734-52-Propanoyl-3-picoline1-Propanone, 1-(3-methyl-2-pyridinyl)-MFCD160877901-(3-methyl-pyridin-2-yl)-propan-1-oneSCHEMBL5312789SLB87234
Show more names
AKOS010984074SB530841-(3-methyl-2-pyridinyl)-1-PropanoneBS-33146DB-353951CS-0210061EN300-195447N12289
Database identifiers
- CAS
917872-34-5- PubChem CID
- 57790018
- DTXSID
DTXSID30727899- EC Number
- 997-734-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 235.3 · 235.3±20.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- pka
- 3.52 · 3.52±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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