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13472-35-0 molecular structure
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sodium dihydrate dihydrogen phosphate

ChemBase ID: 156054
Molecular Formular: H6NaO6P
Molecular Mass: 156.007571
Monoisotopic Mass: 155.97996882
SMILES and InChIs

SMILES:
O.O.OP(=O)(O)[O-].[Na+]
Canonical SMILES:
[O-]P(=O)(O)O.O.O.[Na+]
InChI:
InChI=1S/Na.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+1;;;/p-1
InChIKey:
VBJGJHBYWREJQD-UHFFFAOYSA-M

Cite this record

CBID:156054 http://www.chembase.cn/molecule-156054.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium dihydrate dihydrogen phosphate
IUPAC Traditional name
sodium dihydrate dihydrogen phosphate
Synonyms
Sodium dihydrogen phosphate dihydrate
Sodium phosphate monobasic dihydrate
磷酸二氢钠 二水合物
一盐基磷酸钠 二水合物
CAS Number
13472-35-0
EC Number
231-449-2
MDL Number
MFCD00149209
PubChem SID
24886209
162250192
24886206
24845709
PubChem CID
23673460

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 13.5302 cm3 Polarizability 5.806723 Å3
Polar Surface Area 80.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
H2O: soluble50 mg/mL, clear, colorless expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.085 expand Show data source
λ: 280 nm Amax: 0.070 expand Show data source
pH
4.0-4.5 (25 °C, 1 M in H2O) expand Show data source
4.0-4.5 (25 °C, 50 mg/mL in H2O) expand Show data source
4.1-5.0 (20 °C, 1%) expand Show data source
4.2-4.5 (20 °C, 5%) expand Show data source
RTECS
WA1900500 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
German water hazard class
1 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% expand Show data source
≥99.0% (T) expand Show data source
98-100.5% (calc. to the dried substance) expand Show data source
99.0-102.0% expand Show data source
Grade
for molecular biology expand Show data source
JIS special grade expand Show data source
purum p.a. expand Show data source
SAJ first grade expand Show data source
Suitability
complies for appearance of solution expand Show data source
Impurities
≤0.2% water-insoluble matter expand Show data source
DNases, none detected expand Show data source
heavy metals (as Pb), complies expand Show data source
insoluble matter, passes filter test expand Show data source
organic volatile impurities, complies expand Show data source
phosphatases, none detected expand Show data source
proteases, none detected expand Show data source
reducing matter, complies expand Show data source
related substances, complies expand Show data source
residual solvents, complies expand Show data source
RNases, none detected expand Show data source
Cation Traces
Al: ≤5 mg/kg expand Show data source
Al:, in accordance expand Show data source
As: ≤0.2 mg/kg expand Show data source
As: ≤2 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤20 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Ca:, in accordance expand Show data source
Cd: ≤1 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤10 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
Hg: ≤1 mg/kg expand Show data source
K: ≤100 mg/kg expand Show data source
K: ≤200 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤20 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤4 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤10 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤50 mg/kg expand Show data source
fluoride (F-): ≤10 mg/kg 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
21.5-24.0% loss on drying, 130 °C expand Show data source
Quality Level
PREMIUM expand Show data source
Quality
crystallized expand Show data source
meets analytical specification of Ph. Eur., BP, USP, FCC, E 339 expand Show data source
λ
1 M in H2O expand Show data source
Product Line
BioUltra expand Show data source
Linear Formula
NaH2PO4 · 2H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 71505 external link
Other Notes
Gel electrophoresis - running buffer component for denaturing gels containing formamide1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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