disodium but-2-enedioate

• ChemBase ID: 102451
• Molecular Formular: C4H2Na2O4
• Molecular Mass: 160.03582
• Monoisotopic Mass: 159.97484711
• SMILES: [Na+].[Na+].[O-]C(=O)/C=C/C(=O)[O-]
• Canonical SMILES: [O-]C(=O)/C=C/C(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2
• InChIKey: MSJMDZAOKORVFC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium but-2-enedioate; disodium (2E)-but-2-enedioate
• IUPAC Traditional name: disodium butenedioate; dipotassium butenedioate; disodium fumarate
• Synonyms: Sodium fumarate; Disodium fumarate; Sodium fumarate dibasic; FUMARIC ACID DISODIUM SALT ANHYDROUS; Fumaric acid disodium salt; Sodium fumarate; Maleic acid disodium salt; Sodium maleate dibasic; DISODIUM FUMARATE; 富马酸钠; 马来酸 二钠盐; 顺丁烯二酸二钠

Database IDs

• CAS Number: 371-47-1; 17013-01-3
• EC Number: 241-087-7; 206-738-1
• MDL Number: MFCD00064567; MFCD00013059
• Beilstein Number: 6443880
• PubChem SID: 24882495; 162089274
• PubChem CID: 9734; 6364607
• Chemspider ID: 4895542
• Wikipedia Title: Sodium_fumarate

CALCULATED PROPERTIES

• Acid pKa: 3.5457325
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.1057482
• LogD (pH = 7.4): -6.3127127
• Log P: -0.04091433
• Molar Refractivity: 46.2812 cm^3
• Polarizability: 8.887442 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White powder

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• RTECS: LT1830000; ON2000000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 36/37/38; R:22
• Safety Statements: 26; 26-37; S:36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (NT); 98%; 99%
• Grade: purum p.a.
• Cation Traces: Cd: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Linear Formula: NaOOCCH=CHCOONa

DETAILS

MP Biomedicals - 05213258

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101740

Disodium Salt
Purity: 99%
Anhydrous