3,6-Pyridazinedicarboxylic Acid

• CAS: 57266-70-3
• Catalog Number: ACM57266703
• Category: Other Products
• Molecular Weight: 168.11
• Molecular Formula: C6H4N2O4
• Synonyms: 3,6-PYRIDAZINEDICARBOXYLIC ACID
• IUPAC Name: pyridazine-3,6-dicarboxylic acid
• SMILES: C1=CC(=NN=C1C(=O)O)C(=O)O
• InChI: InChI=1S/C6H4N2O4/c9-5(10)3-1-2-4(6(11)12)8-7-3/h1-2H,(H,9,10)(H,11,12)
• InChI Key: FJPJFQGISLJONZ-UHFFFAOYSA-N
• Boiling Point: 559.7ºC at 760 mmHg
• Flash Point: 292.3ºC
• Density: 1.665 g/cm³
• Complexity: 184
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 168.01710661g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• Monoisotopic Mass: 168.01710661g/mol
• NSC Number: 174675
• Rotatable Bond Count: 2
• Safety Description: 26-36/37/39
• Topological Polar Surface Area: 100Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: -0.4

Custom Reviews

June 16, 2023

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Improve experimental efficiency
The purity, specification and composition of 3,6-pyridazinedicarboxylic acid are very accurate, which speeds up my experiment.

Synthetic Use

Upstream Synthesis Route 1

• 113631-49-5

• 57266-70-3

Reference: [1]Sueur, Stephane; Lagrenee, Michel; Abraham, Francis; Bremard, Claude
[Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 1285 - 1289]

Downstream Synthesis Route 1

• 67-56-1
• 57266-70-3

• 2166-24-7

Reference: [1]Sueur, Stephane; Lagrenee, Michel; Abraham, Francis; Bremard, Claude
[Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 1285 - 1289]
[2]Current Patent Assignee: YUMANITY THERAPEUTICS INC - WO2019/183587, 2019, A1
Location in patent: Page/Page column 224
[3]Current Patent Assignee: YUMANITY THERAPEUTICS INC; EUMANNICH TREAT - WO2020/198026, 2020, A1
Location in patent: Page/Page column 231

Downstream Synthesis Route 2

• 64-17-5
• 57266-70-3

• 113631-50-8

Reference: [1]Sueur, Stephane; Lagrenee, Michel; Abraham, Francis; Bremard, Claude
[Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 1285 - 1289]

* For details of the synthesis route, please refer to the original source to ensure accuracy.