1-(Pyridin-2-yl)propan-2-one

IUPAC: 1-pyridin-2-ylpropan-2-one

CAS 6302-02-9
C8H9NO

1-(Pyridin-2-yl)propan-2-one (CAS 6302-02-9) is a chemical compound with molecular formula C8H9NO and molecular weight 135.16 g/mol . GHS signal word: Danger. Hazard classifications: Corrosive, Health Hazard.

What is 1-(Pyridin-2-yl)propan-2-one?

Molecular Formula
C8H9NO
Molecular Weight
135.16 g/mol

Structure Identifiers

SMILES
CC(=O)CC1=CC=CC=N1
InChI
InChI=1S/C8H9NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5H,6H2,1H3
InChIKey
TZTXTIBZSSSFDI-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
135.0684 Da
XLogP
0.60
TPSA
30.0 Ų
H-Bond Donors
0
H-Bond Acceptors
2
Complexity
122
Formal Charge
0

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Corrosive GHS05
GHS pictogram: Health Hazard GHS07

Hazard Statements

  • H302 Harmful if swallowed

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P270 Do not eat, drink or smoke when using this product
  • P271 Use only outdoors or in a well-ventilated area
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P330 Rinse mouth
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (50)

  • AB03323
  • F208823
  • DS-11808
  • NSC42754
  • SY002438
  • 6302-02-9
  • 804-798-9
  • DB-054378
  • NSC 42754
  • NSC-42754
  • CS-W008575
  • F2199-0228
  • NS00113898
  • ALBB-014921
  • BRN 0110590
  • EN300-118269
  • MFCD00092717
  • AKOS003237315
  • SCHEMBL211090
  • DTXSID50212277
  • RefChem:428529
  • SCHEMBL6839138
  • SCHEMBL15094239
  • SCHEMBL28312719
  • SCHEMBL29828134
  • 2-Pyridylacetone
  • (2-Pyridyl)acetone
  • 2-Acetonylpyridine
  • 1-(2-Pyridyl)acetone
  • 1-PYRIDIN-2-YLACETONE
  • 1-pyridyl-2-propanone
  • 1-(pyridin-2-yl)acetone
  • 2-Picolyl methyl ketone
  • 1-(2-Pyridinyl)acetone #
  • 1-(2-Pyridyl)-2-propanone
  • 1-(2-pyridyl)propan-2-one
  • 3-(2-Pyridyl)propan-2-one
  • 1-(2'-Pyridyl)-propan-2-on
  • 1-pyridin-2-ylpropan-2-one
  • 1-(2-PYRIDINYL)-2-PROPANONE
  • 1-Pyridin-2-yl-propan-2-one
  • 2-Propanone, 1-(2-pyridyl)-
  • 1-(Pyridin-2-Yl)Propan-2-One
  • 2-Propanone, 1-(2-pyridinyl)
  • 2-PROPANONE, 1-(2-PYRIDINYL)-
  • methyl 2-pyridylmethyl ketone
  • 1-(2'-Pyridyl)-propan-2-on [German]
  • 1-pyridin-2-yl-propan-2-one, AldrichCPR
  • 2-Propanone, 1-(2(1H)-pyridinylidene)- (9CI)
  • 5-21-07-00418 (Beilstein Handbook Reference)

Frequently asked questions

What is the CAS number of 1-(Pyridin-2-yl)propan-2-one?

The CAS Registry Number for 1-(Pyridin-2-yl)propan-2-one is 6302-02-9.

What is the IUPAC name of 1-(Pyridin-2-yl)propan-2-one?

The IUPAC name of 1-(Pyridin-2-yl)propan-2-one is 1-pyridin-2-ylpropan-2-one.

What is the molecular formula of 1-(Pyridin-2-yl)propan-2-one?

1-(Pyridin-2-yl)propan-2-one has the molecular formula C8H9NO and a molecular weight of 135.16 g/mol.

What is the SMILES notation for 1-(Pyridin-2-yl)propan-2-one?

The SMILES notation for 1-(Pyridin-2-yl)propan-2-one is CC(=O)CC1=CC=CC=N1.

Is 1-(Pyridin-2-yl)propan-2-one hazardous?

1-(Pyridin-2-yl)propan-2-one carries the following GHS hazard classifications: Corrosive, Health Hazard. Signal word: Danger.

What are other names for 1-(Pyridin-2-yl)propan-2-one?

1-(Pyridin-2-yl)propan-2-one is also known as (2-Pyridyl)acetone, 1-(2-PYRIDINYL)-2-PROPANONE, 1-(2-Pyridinyl)acetone #, 1-(2-Pyridyl)-2-propanone, 1-(2-Pyridyl)acetone.

Data sourced from PubChem CID 95910. Last updated .

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