Acetylpyrazine

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Catalog Number
ACM22047252
Product Name
Acetylpyrazine
Structure
Structure
CAS
22047-25-2
Category
Heterocyclic Organic Compound
Synonyms
2-Acetylpyrazine
IUPAC Name
1-Pyrazin-2-ylethanone
Molecular Weight
122.12
Molecular Formula
C6H6N2O
Canonical SMILES
CC(=O)C1=NC=CN=C1
InChI
InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
InChI Key
DBZAKQWXICEWNW-UHFFFAOYSA-N
Boiling Point
78-79 °C
Melting Point
76-78 °C(lit.)
Flash Point
78-79 °C
Density
1.1075 g/cm³
Solubility
Sightly soluble in water, soluble in organic solvents
Appearance
Solid
Storage
Keep in dark place, sealed in dry, room temperature
Complexity
114
Exact Mass
122.048012819
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
0
Monoisotopic Mass
122.048012819
Physical State
Crystals
pKa
0.30±0.10(Predicted)
Refractive Index
1.535
Safety Description
S24/25
Stability
Stable under normal temperatures and pressures.
Storage Conditions
Dark and dry place,Room Temperature
Topological Polar Surface Area
42.8 Ų
WGK Germany
2
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