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Record Information
Version1.0
Creation Date2014-10-02 22:21:04 UTC
Update Date2016-11-09 01:09:15 UTC
Accession NumberCHEM003925
Identification
Common NameHydrogen Sulfate
ClassSmall Molecule
DescriptionSulfuric acid is a highly corrosive strong mineral acid with the molecular formula H2SO4. It is a pungent-ethereal, colorless to slightly yellow viscous liquid which is soluble in water at all concentrations. Sometimes, it is dyed dark brown during production to alert people to its hazards. The historical name of this acid is oil of vitriol. Concentrated sulfuric acid is 98% pure and shows different properties depending upon its concentration. For instance battery acid is 30% sulfuric acid. Because the hydration reaction of sulfuric acid is highly exothermic, dilution should always be performed by adding the acid to the water rather than the water to the acid. Pure sulfuric acid is not encountered naturally on Earth in its anhydrous form, due to its great affinity for water. Dilute sulfuric acid is a constituent of acid rain, which is formed by atmospheric oxidation of sulfur dioxide in the presence of water – i.e., oxidation of sulfurous acid. Sulfur dioxide is the main byproduct produced when sulfur-containing fuels such as coal or oil are burned. Most sulfuric acid (~60%) is consumed for fertilizers, particularly superphosphates, ammonium phosphate and ammonium sulfates. About 20% is used in chemical industry for production of detergents, synthetic resins, dyestuffs, pharmaceuticals, petroleum catalysts, insecticides and antifreeze, as well as in various processes such as oil well acidicizing, aluminium reduction, paper sizing, water treatment.
Contaminant Sources
  • STOFF IDENT Compounds
  • T3DB toxins
Contaminant Type
  • Fertilizer
  • Industrial/Workplace Toxin
  • Lachrymator
  • Natural Compound
Chemical Structure
Thumb
Synonyms
ValueSource
[SO3(OH)](-)ChEBI
HSO4(-)ChEBI
HYDROGEN sulfATEChEBI
HYDROGEN sulfuric acidGenerator
HYDROGEN sulphateGenerator
HYDROGEN sulphuric acidGenerator
Hydrogensulfuric acidGenerator
HydrogensulphateGenerator
Hydrogensulphuric acidGenerator
Chemical FormulaHO4S
Average Molecular Mass97.071 g/mol
Monoisotopic Mass96.960 g/mol
CAS Registry NumberNot Available
IUPAC Namehydrogen sulfate
Traditional Namehydrogen sulfate
SMILESOS([O-])(=O)=O
InChI IdentifierInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1
InChI KeyQAOWNCQODCNURD-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as non-metal sulfates. These are inorganic non-metallic compounds containing a sulfate as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal sulfates
Direct ParentNon-metal sulfates
Alternative Parents
Substituents
  • Non-metal sulfate
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateLiquid
AppearanceColorless liquid, sometimes, it is dyed dark brown during production to alert people to its hazards
Experimental Properties
PropertyValue
Melting Point10°C
Boiling Point337°C
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-0.84ChemAxon
pKa (Strongest Acidic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area77.43 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity12.65 m³·mol⁻¹ChemAxon
Polarizability6.17 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-e4491aa733acdbf89855View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-30255ae62c4d201e0c76View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-9d86e3695e6acb0f89b1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-c7a86b5fa5f68d2b74cbView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-4ac8d9e17977ddac3bd9View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-f59382cd8927bc78f4c4View in MoNA
Toxicity Profile
Route of ExposureInhalation; Ingestion; Dermal; Eyes
Mechanism of ToxicityMany strong acids cause tissue burns through the denaturation of proteins and partial hydrolysis of proteins. Most proteins denature at pH values of less than 3-4. The large-scale denaturation of proteins, de-esterification of lipids and subsequent desiccation of tissues leads to chemical burns. Symptoms include itching, bleaching or darkening of skin or tissues, blistering and burning sensations. More specifically, sulfuric acid readily decomposes proteins and lipids through amide hydrolysis and ester hydrolysis upon contact with living tissues. In addition, it exhibits a strong dehydrating property on carbohydrates, liberating extra heat and causing secondary thermal burns. The strong oxidizing property may also extend its corrosiveness on the tissue. Because of such reasons, damage posed by sulfuric acid is potentially more severe than that caused by other comparable strong acids, such as hydrochloric acid and nitric acid.
MetabolismNot Available
Toxicity ValuesAcute oral toxicity (LD50): 2140 mg/kg [Rat.]. Acute toxicity of the vapor (LC50): 320 mg/m3 for 2 hours [Mouse]
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Occupational exposures to strong inorganic acid mists containing sulfuric acid are carcinogenic to humans (Group 1). (1)
Uses/SourcesSulfuric acid is found naturally in acid rain or rainwater near industrial sites. Most sulfuric acid (~60%) is consumed for fertilizers, particularly superphosphates, ammonium phosphate and ammonium sulfates. About 20% is used in chemical industry for production of detergents, synthetic resins, dyestuffs, pharmaceuticals, petroleum catalysts, insecticides and antifreeze, as well as in various processes such as oil well acidicizing, aluminium reduction, paper sizing, water treatment.
Minimum Risk LevelThe limit of exposure of sulfuric acid is fixed at 1 mg/m3
Health EffectsSulfuric acid at a high concentration can cause very serious damage upon contact, as it not only causes chemical burns via hydrolysis, but also secondary thermal burns via dehydration. It burns the cornea and can lead to permanent blindness if splashed onto eyes. Accordingly, it rapidly attacks the cornea and can induce permanent blindness if splashed onto eyes. If ingested, it damages internal organs irreversibly and may even be fatal. Inhalation of sulfuric acid spray mist may produce severe irritation of respiratory tract, characterized by coughing, choking, or shortness of breath. Sulfuric acid is also a known carcinogen. Sulfuric acid may be toxic to kidneys, lungs, heart, cardiovascular system, upper respiratory tract, eyes and teeth.
SymptomsSkin contact can cause redness, pain, blisters and severe skin burns. Sulfuric acid may cause severe burns to the eye and permanent eye damage. Severe and rapid corrosive burns of the mouth, gullet and gastrointestinal tract will result if sulfuric acid is swallowed. Symptoms include burning, choking, nausea, vomiting and severe pain.
TreatmentThe mainstay of treatment of any acid burn is copious irrigation with large amounts of tap water. To be most effective, treatment should be started immediately after exposure, preferably before arrival in the emergency department. Remove any contaminated clothing. Do not attempt to neutralize the burn with weak reciprocal chemicals (i.e. alkali for acid burns), because the heat generated from the chemical reaction may cause severe thermal injury.
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI ID45696
PubChem Compound ID61778
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available