2,3-Pyrazinedicarboxylic Acid
Catalog Number
ACM89010
CAS
89-01-0
IUPAC Name
Pyrazine-2,3-dicarboxylic acid
Synonyms
3-Pyrazinedicarboxylic acid
Molecular Weight
168.11
Molecular Formula
C6H4N2O4
Product Information
Canonical SMILES
C1=CN=C(C(=N1)C(=O)O)C(=O)O
Inchi
InChI=1S/C6H4N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h1-2H,(H,9,10)(H,11,12)
InChIKey
ZUCRGHABDDWQPY-UHFFFAOYSA-N
Boiling Point
297.01 °C
Melting Point
188 °C
Purity
95%+
Density
1.6328 g/mL at 25 °C(lit.)
Appearance
White to Almost white powder to crystal
storage
Store under inert gas
Complexity
184
Condition To Avoid
Air Sensitive, Hygroscopic
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
12
MDL Number
MFCD00006131
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
147982
Refractive Index
n20/D 1.4738(lit.)
Rotatable Bond Count
2
Signal Word
Warning
Specific Gravity
1.16
Monoisotopic Mass
168.01710661
Topological Polar Surface Area
100 Ų
Exact Mass
168.01710661
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