sodium hydrate dimethylarsinate

• ChemBase ID: 156371
• Molecular Formular: C2H8AsNaO3
• Molecular Mass: 177.99449
• Monoisotopic Mass: 177.9587094
• SMILES: C[As](=O)(C)[O-].O.[Na+]
• Canonical SMILES: [O-][As](=O)(C)C.O.[Na+]
• InChI: InChI=1S/C2H7AsO2.Na.H2O/c1-3(2,4)5;;/h1-2H3,(H,4,5);;1H2/q;+1;/p-1
• InChIKey: AAOYSFLXXUBGPO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydrate dimethylarsinate
• IUPAC Traditional name: sodium hydrate cacodylate ion
• Synonyms: Cacodylic acid sodium salt hydrate; Sodium cacodylate hydrate; 二甲基胂酸 钠盐 水合物; 二甲胂酸钠 水合物

Database IDs

• CAS Number: 124-65-2(anhydrous)
• EC Number: 204-708-2
• MDL Number: MFCD00149078
• Beilstein Number: 3702348
• PubChem SID: 162250509; 24869292
• PubChem CID: 45479758

CALCULATED PROPERTIES

• Acid pKa: 6.222334
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.40412536
• LogD (pH = 7.4): -1.5005654
• Log P: -0.3292
• Molar Refractivity: 14.7772 cm^3
• Polarizability: 9.505158 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1688
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/25-50/53
• Safety Statements: 20/21-28-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H331-H410
• GHS Precautionary statements: P261-P273-P301 + P310-P311-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1688 6.1/PG 2

Product Information

• Grade: PESTANAL®, analytical standard
• Linear Formula: (CH3)2AsO2Na · xH2O

DETAILS

Sigma Aldrich - 31533

Legal Information
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