Sodium bisulfate

ChemSpider ID: 56397
Molecular Formula: HNaO₄S
Average mass: 120.060303 Da
Monoisotopic mass: 119.949326 Da
Systematic name

Sodium hydrogen sulfate
SMILES and InChIs

SMILES:

[Na+].[O-]S(=O)(=O)O Copied

Std. InChI:

InChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1 Copied

Std. InChIKey:

WBHQBSYUUJJSRZ-UHFFFAOYSA-M Copied
Cite this record
CSID:56397, http://www.chemspider.com/Chemical-Structure.56397.html (accessed 09:13, Jun 19, 2013) Copied

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Sodium bisulfate [Wiki]

Sodium hydrogensulphate

Hydrogen sodium sulfate

Monosodium hydrogen sulfate

monosodium hydrogen sulphate

NaHSO4 [Formula]

Sodium hydrogen sulfate [ACD/IUPAC Name]

Sodium hydrogen sulfate (1:1:1)

Sodium hydrogen sulfate, solid

sodium hydrogen sulphate

More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

AI3-08654 [DBID]

Caswell No. 742 [DBID]

EPA Pesticide Chemical Code 073201 [DBID]

NCGC00091930-01 [DBID]

NSC 71192 [DBID]

WC-00 [DBID]

Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

Experimental Physico-chemical Properties

Experimental Melting Point:

59 °C Oxford University Chemical Safety Data http://msds.chem.ox.ac.uk/SO/sodium_hydrogen_sulfate.html

Miscellaneous

Appearance:

off-white granules, crystals or powder Oxford University Chemical Safety Data http://msds.chem.ox.ac.uk/SO/sodium_hydrogen_sulfate.html

Stability:

Stable. Incompatible with strong bases, strong oxidizing agents, sodium carbonate, sodium hypochlorite.May decompose upon exposure to moist air or water. Oxford University Chemical Safety Data http://msds.chem.ox.ac.uk/SO/sodium_hydrogen_sulfate.html

Safety:

Safety glasses. Oxford University Chemical Safety Data http://msds.chem.ox.ac.uk/SO/sodium_hydrogen_sulfate.html

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	-1.031	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-5.53	ACD/LogD (pH 7.4):	-5.53
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	4	#H bond donors:	2
#Freely Rotating Bonds:	0	Polar Surface Area:	71.98 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	62.94 kJ/mol
Boiling Point:	330 °C at 760 mmHg	Vapour Pressure:	3.35E-05 mmHg at 25°C

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Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

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Sodium bisulfate

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Sodium bisulfate

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