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7681-38-1 molecular structure
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sodium hydrogen sulfate

ChemBase ID: 129509
Molecular Formular: HNaO4S
Molecular Mass: 120.06031
Monoisotopic Mass: 119.94932379
SMILES and InChIs

SMILES:
[Na+].[O-]S(=O)(=O)O
Canonical SMILES:
[O-]S(=O)(=O)O.[Na+]
InChI:
InChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1
InChIKey:
WBHQBSYUUJJSRZ-UHFFFAOYSA-M

Cite this record

CBID:129509 http://www.chembase.cn/molecule-129509.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium hydrogen sulfate
IUPAC Traditional name
sodium hydrogensulfate
Synonyms
Sodium acid sulfate
Bisulfate of soda
Sodium bisulfate
Sodium bisulfate
Sodium hydrogen sulfate
Sodium hydrogen sulfate
Sodium bisulfate
硫酸氢钠
酸式硫酸钠
酸式硫酸钠
硫酸氢钠
CAS Number
7681-38-1
EC Number
231-665-7
MDL Number
MFCD00003531
PubChem SID
162223801
PubChem CID
516919
Chemspider ID
56397
Wikipedia Title
Sodium_bisulfate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.034349  H Acceptors
H Donor LogD (pH = 5.5) -5.569452 
LogD (pH = 7.4) -5.594027  Log P -0.841552 
Molar Refractivity 12.6491 cm3 Polarizability 6.158906 Å3
Polar Surface Area 77.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
50 g/100 mL (0°C)
100 g/100 mL (100°C) in water
expand Show data source
insoluble in ammonia; decomposed by alcohol expand Show data source
Apperance
crystalline expand Show data source
white solid expand Show data source
Melting Point
58.5°C (monohydrate)
315°C (anhydrous)
expand Show data source
Boiling Point
decomposes to Na2S2O7 (+ H2O) at 315°C expand Show data source
Flash Point
Non-flammable expand Show data source
Density
2.742 g/cm3 (anhydrous)
1.8 g/cm3 (monohydrate)
expand Show data source
pKa
1.99 expand Show data source
RTECS
VZ1860000 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
German water hazard class
1 expand Show data source
Risk Statements
41 expand Show data source
R34 R37 R41 expand Show data source
Safety Statements
24-26 expand Show data source
S26 S36 S37 S39 S45 expand Show data source
EU Index
Corrosive (C) expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
0
2
1
expand Show data source
GHS Hazard statements
H315-H318 expand Show data source
H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
~95.0% expand Show data source
≥93% expand Show data source
93.0-102.0% (T) expand Show data source
Grade
purum expand Show data source
technical expand Show data source
technical grade expand Show data source
Impurities
≤6% Na2SO4 expand Show data source
Linear Formula
NaHSO4 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 307823 external link
Packaging
2.5 kg in poly bottle
25 g in glass bottle
20 kg in poly drum
500 g in poly bottle
Sigma Aldrich - 71656 external link
Caution
may contain particles

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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