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2 6-Diacetylpyridine 99%

CAT: 0286-D03110-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-D03110-01Size:1 g
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CAS Number
1129-30-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00006304
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of 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 cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2,6-Diacetylpyridine
CAS Number1129-30-2
PubChem CID70790
IUPAC Name1-(6-acetyl-2-pyridinyl)ethanone
Molecular FormulaC9H9NO2
Molecular Weight163.17
XLogP0.9
Topological Polar Surface Area47
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity181
SMILES
CC(=O)C1=NC(=CC=C1)C(=O)C
InChI
InChI=1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3
InChIKey
BEZVGIHGZPLGBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Diacetylpyridine
CAS: 1129-30-2
CID: 70790
Formula: C9H9NO2
MW: 163.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.17
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass163.063328530
Monoisotopic Mass163.063328530
Topological Polar Surface Area47 Ų
Heavy Atom Count12
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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