disodium heptahydrate hydrogen phosphate

• ChemBase ID: 105590
• Molecular Formular: H15Na2O11P
• Molecular Mass: 268.065801
• Monoisotopic Mass: 268.01473649
• SMILES: O.O.O.O.O.O.O.[Na+].[Na+].OP(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)(O)[O-].O.O.O.O.O.O.O.[Na+].[Na+]
• InChI: InChI=1S/2Na.H3O4P.7H2O/c;;1-5(2,3)4;;;;;;;/h;;(H3,1,2,3,4);7*1H2/q2*+1;;;;;;;;/p-2
• InChIKey: PYLIXCKOHOHGKQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium heptahydrate hydrogen phosphate
• IUPAC Traditional name: dipotassium heptahydrate hydrogen phosphate; disodium heptahydrate hydrogen phosphate
• Synonyms: Disodium hydrogen phosphate heptahydrate; Disodium phosphate; Sodium phosphate, dibasic; Sodium hydrogen phosphate heptahydrate, ACS; Sodium orthophosphate; SODIUM PHOSPHATE DIBASIC HEPTAHYDRATE ACS REAGENT GRADE; Sodium phosphate dibasic heptahydrate; 七水磷酸氢二钠, ACS; 磷酸二钠; 磷酸氢二钠 七水合物; 磷酸钠 二元 七水合物

Database IDs

• CAS Number: 7782-85-6
• EC Number: 237-707-0; 231-448-7
• MDL Number: MFCD00149180
• Merck Index: 148659
• PubChem SID: 162093872; 24858330; 24867019; 24899839; 24845714
• PubChem CID: 6096963

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 12.4085 cm^3
• Polarizability: 5.685633 Å^3
• Polar Surface Area: 83.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 48°C (loses H 2 O); 48.1°C-5H{2}O
• Density: 1.679 g/ml; 1.68 g/mL at 25 °C(lit.); 1.7
• Vapor Density: 4.9 (vs air)
• pH: 8.7-9.3 (25 °C, 5% in solution); 8.7-9.3 (25 °C, 5%); 8.7-9.3 (25 °C, 50 mg/mL in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: WC4600000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38-58
• Safety Statements: 26-37-60; S:20-25-26-29-37/39-61
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; ≥99.0% (NT); ≥99.99% trace metals basis; 98.0-102.0%; 99-100.5% (calc. to the dried substance)
• Grade: ACS; ACS reagent; puriss.; puriss. p.a.; REAGENT
• Suitability: meets USP testing specifications
• Impurities: <100 ppm total metallic impurities; ≤0.0005% heavy metals (as Pb); ≤0.001% heavy metals (as Pb); ≤0.001% total nitrogen (N); ≤0.005% Insoluble matter; ≤0.005% insolubles; residual solvents, complies
• Cation Traces: As: ≤1 mg/kg; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤0.001%; Fe: ≤20 mg/kg; Fe: ≤5 mg/kg; heavy metals (as Pb): ≤0.001%; heavy metals: ≤0.001%; K: ≤100 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤0.001%; chloride (Cl-): ≤10 mg/kg; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤200 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: 43.0-50.0% loss on drying, 120 °C
• pH Range: 8.7 - 9.3
• Quality Level: PREMIUM
• Quality: meets analytical specification of USP
• Linear Formula: Na2HPO4 · 7H2O

DETAILS

MP Biomedicals - 02191441

Heptahydrate
ACS Reagent Grade
Purity: 98.0-102.0%
Insoluble Matter: =0.005%
White, crystalline powder.

Sigma Aldrich - 431478

Features and Benefits
Meets A.C.S. reagent specifications.
Packaging
50, 250 g in poly bottle

Sigma Aldrich - S9390

包装
1 kg in poly bottle
100, 500 g in poly bottle
2.5 kg in poly drum