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7782-85-6 molecular structure
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disodium heptahydrate hydrogen phosphate

ChemBase ID: 105590
Molecular Formular: H15Na2O11P
Molecular Mass: 268.065801
Monoisotopic Mass: 268.01473649
SMILES and InChIs

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

Cite this record

CBID:105590 http://www.chembase.cn/molecule-105590.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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

CALCULATED PROPERTIES

JChem
Acid pKa 1.7961261  H Acceptors
H Donor LogD (pH = 5.5) -3.3916447 
LogD (pH = 7.4) -3.9718332  Log P -1.0201038 
Molar Refractivity 12.4085 cm3 Polarizability 5.685633 Å3
Polar Surface Area 83.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
Melting Point
48°C (loses H 2 O) expand Show data source
48.1°C-5H{2}O expand Show data source
Density
1.679 g/ml expand Show data source
1.68 g/mL at 25 °C(lit.) expand Show data source
1.7 expand Show data source
Vapor Density
4.9 (vs air) expand Show data source
pH
8.7-9.3 (25 °C, 5% in solution) expand Show data source
8.7-9.3 (25 °C, 5%) expand Show data source
8.7-9.3 (25 °C, 50 mg/mL in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
WC4600000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38-58 expand Show data source
Safety Statements
26-37-60 expand Show data source
S:20-25-26-29-37/39-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99% expand Show data source
≥99.0% (NT) expand Show data source
≥99.99% trace metals basis expand Show data source
98.0-102.0% expand Show data source
99-100.5% (calc. to the dried substance) expand Show data source
Grade
ACS expand Show data source
ACS reagent expand Show data source
puriss. expand Show data source
puriss. p.a. expand Show data source
REAGENT expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
meets USP testing specifications expand Show data source
Impurities
<100 ppm total metallic impurities expand Show data source
≤0.0005% heavy metals (as Pb) expand Show data source
≤0.001% heavy metals (as Pb) expand Show data source
≤0.001% total nitrogen (N) expand Show data source
≤0.005% Insoluble matter expand Show data source
≤0.005% insolubles expand Show data source
residual solvents, complies expand Show data source
Cation Traces
As: ≤1 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤0.001% expand Show data source
Fe: ≤20 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
heavy metals (as Pb): ≤0.001% expand Show data source
heavy metals: ≤0.001% expand Show data source
K: ≤100 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.001% expand Show data source
chloride (Cl-): ≤10 mg/kg expand Show data source
sulfate (SO42-): ≤0.005% expand Show data source
sulfate (SO42-): ≤200 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Loss on Drying
43.0-50.0% loss on drying, 120 °C expand Show data source
pH Range
8.7 - 9.3 expand Show data source
Quality Level
PREMIUM expand Show data source
Quality
meets analytical specification of USP expand Show data source
Linear Formula
Na2HPO4 · 7H2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02191441 external link
Heptahydrate
ACS Reagent Grade
Purity: 98.0-102.0%
Insoluble Matter: =0.005%
White, crystalline powder.
Sigma Aldrich - 431478 external link
Features and Benefits
Meets A.C.S. reagent specifications.
Packaging
50, 250 g in poly bottle
Sigma Aldrich - S9390 external link
包装
1 kg in poly bottle
100, 500 g in poly bottle
2.5 kg in poly drum

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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