1-(2-Methylpyridin-4-yl)ethan-1-one
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Basic information
- CAS
2732-28-7- Standard SMILES
CC(=O)c1ccnc(C)c1- InChIKey
NIGBUKPEJHINOG-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Overview
4-Acetyl-2-methylpyridine is an aromatic ketone.
Names & identifiers
- Preferred name
- 1-(2-Methylpyridin-4-yl)ethan-1-one
- IUPAC
- 1-(2-methyl-4-pyridinyl)ethanone
- English name
- 1-(2-Methylpyridin-4-yl)ethanone
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
2732-28-71-(2-METHYLPYRIDIN-4-YL)ETHAN-1-ONE1-(2-methyl-4-pyridinyl)ethanoneDTXSID00609431RefChem:422557DTXCID90560188895-305-64-Acetyl-2-methylpyridine1-(2-methylpyridin-4-yl)ethanoneMFCD073750791-(2-METHYL-PYRIDIN-4-YL)-ETHANONE2-methyl-4-acetylpyridine
Show more names
1-(2-Methyl-4-pyridinyl)-EthanoneKetone, methyl 2-methyl-4-pyridylEthanone,1-(2-Methyl-4-pyridinyl)-
Ethanone, 1-(2-methyl-4-pyridinyl)-1-(2-Methyl-4-pyridyl)ethanone4-Acetyl-2-picolineKY5ADZ3A9V4-acetyl-2-methyl-pyridineSCHEMBL363432SCHEMBL5253844SCHEMBL29580893
Database identifiers
- CAS
2732-28-7- PubChem CID
- 20705014
- DTXSID
DTXSID00609431- ChEBI
CHEBI:179146- UNII
- KY5ADZ3A9V
- EC Number
- 895-305-6
- Nikkaji
- J2.362.518K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 149 °C · 149 °C
- Boiling point
- 130 °C · 130 °C(Press: 4 Torr)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.25 · 4.25±0.10(Predicted)
- Appearance
- Light yellow to light brown Solid-Liquid Mixture
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37
- Safety Statements
- 26 · 26-36/37
- 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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- risk_code
- 20/21/22-36/37
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 4-Acetyl-2-methylpyridine is an aromatic ketone.
Suppliers
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Related reactions
7 records
Compound notes
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