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7558-79-4 molecular structure
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disodium hydrogen phosphate

ChemBase ID: 130837
Molecular Formular: HNa2O4P
Molecular Mass: 141.958841
Monoisotopic Mass: 141.9407837
SMILES and InChIs

SMILES:
OP(=O)([O-])[O-].[Na+].[Na+]
Canonical SMILES:
[O-]P(=O)(O)[O-].[Na+].[Na+]
InChI:
InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2
InChIKey:
BNIILDVGGAEEIG-UHFFFAOYSA-L

Cite this record

CBID:130837 http://www.chembase.cn/molecule-130837.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium hydrogen phosphate
IUPAC Traditional name
disodium hydrogen phosphate
Synonyms
Sodium hydrogen phosphate, anhydrous, ACS
Disodium hydrogen phosphate solution
di-Sodium hydrogen phosphate solution
Sodium phosphate dibasic solution
Phosphate Standard for IC
sec-Sodium phosphate
Disodium hydrogen phosphate
Disodium phosphate
Sodium hydrogenphosphate
Sodium phosphate dibasic
Sodium phosphate dibasic solution
Phosphate, certified anion standard solution
Dinatrii phosphas anhydricus
Sodium phosphate, dibasic
Sodium hydrogen phosphate
无水磷酸氢二钠, ACS
二盐基性磷酸钠 溶液
磷酸二钠 溶液
磷酸氢二钠 溶液
磷酸根 IC 标准溶液
二盐基磷酸钠
磷酸一氢钠
磷酸二钠
磷酸氢二钠
磷酸钠 二元
磷酸氢二钠 溶液
磷酸根离子,认证阴离子标准液 溶液
磷酸氢二钠
CAS Number
7558-79-4
EC Number
231-448-7
231-791-2
MDL Number
MFCD00003496
Merck Index
148659
PubChem SID
24899552
24899448
24886240
24845716
24899856
24858358
24887682
24886237
24899559
24901046
24899638
162225115
24889758
24855481
24899769
PubChem CID
24203
FEMA ID
2399

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)
Solubility
H2O: soluble0.5 M at 20 °C, clear, colorless expand Show data source
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
H2O: soluble100 mg/mL expand Show data source
Apperance
Granular expand Show data source
powder expand Show data source
solid expand Show data source
Density
1.064 g/mL at 20 °C expand Show data source
Vapor Density
4.9 (vs air) expand Show data source
Absorption Wavelength
A1M/260, H2O <0.05 expand Show data source
A1M/280, H2O <0.05 expand Show data source
λ: 220 nm Amax: 0.1 expand Show data source
λ: 230 nm Amax: 0.05 expand Show data source
λ: 240 nm Amax: 0.04 expand Show data source
λ: 250 nm Amax: 0.03 expand Show data source
λ: 260 nm Amax: ≤0.025 expand Show data source
λ: 260 nm Amax: 0.019 expand Show data source
λ: 260 nm Amax: 0.02 expand Show data source
λ: 280 nm Amax: ≤0.020 expand Show data source
λ: 280 nm Amax: 0.016 expand Show data source
λ: 500 nm Amax: 0.02 expand Show data source
λ: 500 nm Amax: 0.03 expand Show data source
pKa
(1) 2.15, (2) 6.82, (3) 12.38 (phosphoric acid) expand Show data source
(1) 2.15, (2) 6.82, (3) 12.38 (phosphoric acid) (25°C) expand Show data source
pH
8.0-11.0 (20 °C, 1 M in H2O) expand Show data source
8.4-9.6 (20 °C, 1%) expand Show data source
8.7-9.3 (25 °C, 5% in solution) expand Show data source
8.7-9.3 (25 °C, 50 mg/mL in H2O) expand Show data source
8.8-9.4 (25 °C, 0.5 M in H2O) expand Show data source
8.8-9.4 (25 °C, 50 mg/mL in H2O) expand Show data source
8.9-9.2 (20 °C, 5%) expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
WC4500000 expand Show data source
European Hazard Symbols
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
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
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
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
nwg expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-37-60 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, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Regulation Compliance
FDA 21 CFR (175.210) expand Show data source
FDA 21 CFR (175.300) expand Show data source
FDA 21 CFR (182.1778) expand Show data source
FDA 21 CFR (182.6290) expand Show data source
Purity
≥98% expand Show data source
≥98.0% (T) expand Show data source
≥98.5% (titration) expand Show data source
≥99% expand Show data source
≥99.0% expand Show data source
≥99.0% (T) expand Show data source
≥99.5% expand Show data source
≥99.5% (T) expand Show data source
≥99.999% (metals basis) expand Show data source
98+% expand Show data source
98-100.5% (calc. to the dried substance) expand Show data source
99.0% min expand Show data source
99.95% trace metals basis expand Show data source
Concentration
0.5 M in H2O expand Show data source
1000 mg/kg PO43- expand Show data source
1000 mg/L PO43- in H2O expand Show data source
Grade
ACS reagent expand Show data source
for electrophoresis expand Show data source
for HPLC expand Show data source
for ion chromatography expand Show data source
for molecular biology expand Show data source
for trace analysis expand Show data source
JIS special grade expand Show data source
Ph Eur expand Show data source
puriss. expand Show data source
puriss. p.a. expand Show data source
purum p.a. expand Show data source
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
TraceCERT® expand Show data source
TraceSELECT® expand Show data source
Suitability
complies for appearance of solution expand Show data source
corresponds to standard for filter test expand Show data source
corresponds to standard for RP gradient test expand Show data source
suitable for cell culture expand Show data source
suitable for electrophoresis buffers for the Weber and Osborn system expand Show data source
suitable for insect cell culture expand Show data source
Impurities
≤0.001% heavy metals (as Pb) expand Show data source
≤0.001% total nitrogen (N) expand Show data source
≤0.002% ammonium (NH4) expand Show data source
≤0.002% Chloride (Cl) expand Show data source
≤0.01% Insoluble matter expand Show data source
≤0.01% insolubles expand Show data source
≤0.1% Insoluble matter expand Show data source
≤0.2% water-insoluble matter expand Show data source
≤1% NaH2PO4(calc. to dried subst.) expand Show data source
≤10 mg/kg total nitrogen (N) expand Show data source
≤2.0% pyrophosphate (as Na4P2O7) expand Show data source
DNases, none detected expand Show data source
insoluble matter, passes filter test 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
residual solvents, complies expand Show data source
RNases, none detected expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Al: ≤1 mg/kg expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
As: ≤0.2 mg/kg expand Show data source
As: ≤1 mg/kg expand Show data source
As: ≤2 mg/kg expand Show data source
Ba: ≤1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤1 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤0.002% expand Show data source
Ca: ≤0.5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤5 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤0.01 mg/kg 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
Ce: ≤0.01 mg/kg expand Show data source
Co: ≤0.01 mg/kg expand Show data source
Co: ≤1 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤1 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cs: ≤5 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤0.01 mg/kg expand Show data source
Cu: ≤1 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
Eu: ≤0.01 mg/kg expand Show data source
Fe: ≤0.002%