3,4-Pyridinedicarboxylic Acid
Catalog Number
ACM490119
CAS
490-11-9
IUPAC Name
pyridine-3,4-dicarboxylic acid
Synonyms
CinchomeronicAcid
Molecular Weight
167.12
Molecular Formula
C7H5NO4
Product Information
Canonical SMILES
C1=CN=CC(=C1C(=O)O)C(=O)O
Inchi
InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKey
MUYSADWCWFFZKR-UHFFFAOYSA-N
Boiling Point
295.67°C (rough estimate)
Melting Point
260 °C(dec.)
Purity
>98.0%(GC)(T)
Density
1.5216 (rough estimate)
Solubility
0.01 M
Appearance
White to Light yellow to Light orange powder to crystal
storage
Store under inert gas
Complexity
204
Condition To Avoid
Air Sensitive
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
12
MDL Number
MFCD00006392
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
137242
Refractive Index
1.62
Rotatable Bond Count
2
Signal Word
Warning
Specific Gravity
1.16
Monoisotopic Mass
167.021858g/mol
Exact Mass
167.021858g/mol
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