Fumaric Acid

Base Information

• Chemical Name: Fumaric Acid
• CAS No.: 123548-45-8
• Deprecated CAS: 623158-97-4,909873-99-0
• Molecular Formula: C₄H₄O₄
• Molecular Weight: 118.051
• European Community (EC) Number: 203-743-0,607-861-7,634-144-6,866-556-9
• ICSC Number: 1173
• NSC Number: 760395,2752
• UN Number: 9126
• UNII: 88XHZ13131
• DSSTox Substance ID: DTXSID3021518
• Nikkaji Number: J292.521D,J2.880K
• Wikipedia: Fumaric_acid,Ammonium_fumarate
• Wikidata: Q139857
• NCI Thesaurus Code: C63655
• RXCUI: 25389
• Metabolomics Workbench ID: 37095
• ChEMBL ID: CHEMBL503160
• Mol file: 123548-45-8.mol

Synonyms:(E)-2-butenedioic acid;2-butenedioic acid;ammonium fumarate;fumarate dianion;fumarate(2-);fumaric acid;Furamag;mafusol;magnesium fumarate;sodium fumarate

Chemical Property of Fumaric Acid

Chemical Property:

• Melting Point: 137-140 °C(lit.)
• PSA: 74.60000
• LogP: -0.28820
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 116.01095860
• Heavy Atom Count: 8
• Complexity: 119

Purity/Quality:

MALEIC ACID-2,3-13C2 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-28-39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C(=C/C(=O)O)\C(=O)O
• Recent ClinicalTrials: Study of Secukinumab Compared to Fumaderm? in Adults With Moderate to Severe Psoriasis.
• Inhalation Risk: A nuisance-causing concentration of airborne particles can be reached quickly when dispersed.
• Effects of Short Term Exposure: The substance is irritating to the eyes.