sodium 2-iodoacetate

• ChemBase ID: 103329
• Molecular Formular: C2H2INaO2
• Molecular Mass: 207.93032
• Monoisotopic Mass: 207.89972159
• SMILES: [Na+].[O-]C(=O)CI
• Canonical SMILES: [O-]C(=O)CI.[Na+]
• InChI: InChI=1S/C2H3IO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
• InChIKey: AGDSCTQQXMDDCV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-iodoacetate
• IUPAC Traditional name: potassium 2-iodoacetate; sodium 2-iodoacetate
• Synonyms: SODIUM IODOACETATE; Sodium iodacetate; IODOACETIC ACID; Iodoacetic acid sodium salt; Sodium iodoacetate; Iodoacetic acid 钠盐

Database IDs

• CAS Number: 305-53-3
• EC Number: 206-165-7
• MDL Number: MFCD00002686
• Beilstein Number: 4009322
• PubChem SID: 24895977; 162091284; 24896151; 24880938
• PubChem CID: 5239

CALCULATED PROPERTIES

• Acid pKa: 3.0473845
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.6969876
• LogD (pH = 7.4): -2.7464745
• Log P: 0.7222152
• Molar Refractivity: 36.5646 cm^3
• Polarizability: 10.381431 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.5 M, clear, colorless; methanol: soluble0.1 M at 20 °C, clear, colorless
• Melting Point: 208 °C (dec.)(lit.); 208°C

Safety Information

• Storage Condition: 0°C, Desiccate, Store Under Nitrogen
• RTECS: AI3675000
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 2811; 2923
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 3; II
• Australian Hazchem: 2X
• Risk Statements: 25-37/38-41; R:22-34
• Safety Statements: 26-39-45; S:26-27/28-36/37/39-46-64
• EU Classification: CT2
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H318-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: -20°C

Product Information

• Purity: ≥98%; ≥98.0% (NT); ≥99.0% (NT); ≥99.5% (NT)
• Grade: purum
• Impurities: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter; ≤0.5% water; insoluble matter, passes filter test
• Cation Traces: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.001%; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.001%; Cu: ≤5 mg/kg; Fe: ≤0.0005%; Fe: ≤5 mg/kg; K: ≤0.02%; K: ≤500 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤100 mg/kg; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤100 mg/kg
• Product Line: BioUltra
• abs.: absorption0.1M/310 nm, methanol cut-off
• Linear Formula: ICH2COONa

DETAILS

MP Biomedicals - 02151348

Sodium Salt
White to light yellow crystals
SH-modifying agent

Sigma Aldrich - 57858

Other Notes
Sulfhydryl reagent1,2
Application
Reagent for the modification of cysteine residues in proteins. Used in protein sequencing (including by Sanger in sequencing bovine insulin) to prevent oxidation of -SH sidechains.
Reagent for the modification of cysteine residues in proteins. Used to induce animal osteoarthritis model system, which mimics both symptoms and histopathology of the human disease.

Sigma Aldrich - I2512

Packaging
25, 100 g in glass bottle
Application
Reagent for the modification of cysteine residues in proteins. Used in protein sequencing (including by Sanger in sequencing bovine insulin) to prevent oxidation of -SH sidechains.
Reagent for the modification of cysteine residues in proteins. Used to induce animal osteoarthritis model system, which mimics both symptoms and histopathology of the human disease.
Biochem/physiol Actions
Used to induce osteoarthritis-like lesions and functional impairment in rats, for testing of chondroprotective agents and diagnostic imaging techniques.1

Sigma Aldrich - I9148

Application
Reagent for the modification of cysteine residues in proteins. Used in protein sequencing (including by Sanger in sequencing bovine insulin) to prevent oxidation of -SH sidechains.
Reagent for the modification of cysteine residues in proteins. Used to induce animal osteoarthritis model system, which mimics both symptoms and histopathology of the human disease.

Sigma Aldrich - 57859

Caution
may discolor to yellowish on storage
Other Notes
Sulfhydryl reagent1,2
Application
Reagent for the modification of cysteine residues in proteins. Used in protein sequencing (including by Sanger in sequencing bovine insulin) to prevent oxidation of -SH sidechains.
Reagent for the modification of cysteine residues in proteins. Used to induce animal osteoarthritis model system, which mimics both symptoms and histopathology of the human disease.

Sigma Aldrich - 57860

Caution
may discolor to yellowish on storage
Application
Reagent for the modification of cysteine residues in proteins. Used in protein sequencing (including by Sanger in sequencing bovine insulin) to prevent oxidation of -SH sidechains.
Reagent for the modification of cysteine residues in proteins. Used to induce animal osteoarthritis model system, which mimics both symptoms and histopathology of the human disease.