dipotassium 3,6,10,13-tetraoxo-2,7,9,14,15,16,17,18-octaoxa-1,8-distibapentacyclo[10.2.1.11,4.15,8.18,11]octadecane-1,8-diuide trihydrate

• ChemBase ID: 125888
• Molecular Formular: C8H10K2O15Sb2
• Molecular Mass: 667.8726
• Monoisotopic Mass: 665.73701298
• SMILES: [K+].[K+].O.O.O.O=C1O[Sb-]23OC1C1O[Sb-]4(OC(C(O2)C(=O)O3)C(=O)O4)OC1=O
• Canonical SMILES: O=C1O[Sb-]23OC1C1O[Sb-]4(OC1=O)OC(=O)C(C(O3)C(=O)O2)O4.O.O.O.[K+].[K+]
• InChI: InChI=1S/2C4H4O6.2K.3H2O.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;;;;/h2*1-2H,(H,7,8)(H,9,10);;;3*1H2;;/q2*-2;2*+1;;;;2*+3/p-4
• InChIKey: WBTCZEPSIIFINA-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium 3,6,10,13-tetraoxo-2,7,9,14,15,16,17,18-octaoxa-1,8-distibapentacyclo[10.2.1.1^1,^4.1^5,^8.1^8,^1^1]octadecane-1,8-diuide trihydrate
• IUPAC Traditional name: dipotassium 3,6,10,13-tetraoxo-2,7,9,14,15,16,17,18-octaoxa-1,8-distibapentacyclo[10.2.1.1^1,^4.1^5,^8.1^8,^1^1]octadecane-1,8-diuide trihydrate
• Synonyms: potassium antimonyl tartrate; emetic tartar; tartar emetic; Antimony potassium tartrate; Antimony potassium tartrate trihydrate; Potassium antimonyl tartrate trihydrate; 吐酒石; 酒石酸钾锑 三水合物; 酒石酸氧锑钾 三水合物

Database IDs

• CAS Number: 28300-74-5
• EC Number: 234-293-3
• MDL Number: MFCD00167056
• PubChem SID: 24863959; 162220233; 24847018; 24881785
• PubChem CID: 16682940; 16682736
• CHEBI ID: 2761
• Chemspider ID: 17214979
• KEGG ID: C11340
• Wikipedia Title: Antimony_potassium_tartrate

CALCULATED PROPERTIES

• Acid pKa: 11.71152
• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 1.9143997
• LogD (pH = 7.4): 1.9143788
• Log P: -0.1856
• Molar Refractivity: 43.8588 cm^3
• Polarizability: 30.951506 Å^3
• Polar Surface Area: 142.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: 8.3 g/100 mL (0 °C); 35.9 g/100 mL (100 °C) in water
• Apperance: powder; white crystalline powder
• Melting Point: ≥300 °C(lit.)
• Density: 2.6 g/cm^3

Safety Information

• RTECS: CC6825000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 1551
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/22-51/53; R20/22 R51/53
• Safety Statements: 61; S2 S61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• LD50: 110 mg/kg
• GHS Hazard statements: H302-H332-H411
• GHS Precautionary statements: P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 1551 6.1/PG 3

Product Information

• Purity: ≥99%; ≥99.5%; 99.0-103% (RT); 99.0-103.0%
• Grade: ACS reagent; JIS special grade; puriss.; purum p.a.
• Impurities: ≤0.02 mmol/g free acid; ≤0.02 mmol/g free alkali; ≤0.020 meq/g Titr. acid or base
• Cation Traces: As: ≤0.015%; As: ≤150 mg/kg; Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; Na: ≤500 mg/kg; Ni: ≤50 mg/kg; Pb: ≤20 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤100 mg/kg; sulfate (SO42-): ≤500 mg/kg
• Loss on Drying: ≤2.7% loss on drying; ≤2.7% loss on drying, 105 °C
• Quality: meets analytical specification of USP
• Empirical Formula (Hill Notation): C8H4K2O12Sb2 · 3H2O

DETAILS

Sigma Aldrich - 383376

Packaging
100 g in poly bottle