Tmic
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Record Information
Version2.0
Creation Date2009-06-24 15:20:02 UTC
Update Date2014-12-24 20:24:53 UTC
Accession NumberT3D1914
Identification
Common NameAmmonium perchlorate
ClassSmall Molecule
DescriptionAmmonium perchlorate (AP) is a chemical compound with the formula NH4ClO4. It is the salt of ammonia and perchloric acid. Like other perchlorates, it is a powerful oxidizer. It is produced by reaction between ammonia and perchloric acid, or by double decomposition between an ammonium salt and sodium perchlorate. It crystallises in colorless rhombohedra with a relative density of 1.95. Like most ammonium salts, it decomposes before melting. Mild heating results in chlorine, nitrogen, oxygen and water, while strong heating may lead to explosions (8).
Compound Type
  • Food Toxin
  • Inorganic Compound
  • Lachrymator
  • Non-Metal
  • Perchlorate
  • Synthetic Compound
Chemical Structure
Thumb
Synonyms
Synonym
Ammonium perchlorate (NH4ClO4)
Ammonium perchloric acid
Perchloric acid, ammonium salt
PKHA
Chemical FormulaClH4NO4
Average Molecular Mass117.489 g/mol
Monoisotopic Mass116.983 g/mol
CAS Registry Number7790-98-9
IUPAC Nameammonium perchlorate
Traditional Nameammonium perchlorate
SMILES[NH4+].[O-][Cl](=O)(=O)=O
InChI IdentifierInChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3
InChI KeyInChIKey=HHEFNVCDPLQQTP-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as non-metal perchlorates. These are inorganic non-metallic compounds containing a perchlorate as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal perchlorates
Direct ParentNon-metal perchlorates
Alternative Parents
Substituents
  • Non-metal perchlorate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
Appearancewhite granular (8)
Experimental Properties
PropertyValue
Melting PointExothermic decomposition before melting at >200°C [ 1 ]
Boiling PointNot Available
Solubility200 mg/mL at 25°C [ASHFORD,RD (1994)]
LogPNot Available
Predicted Properties
PropertyValueSource
logP-0.098ChemAxon
pKa (Strongest Acidic)-6.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area74.27 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.91 m³·mol⁻¹ChemAxon
Polarizability5.23 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureInhalation (7) ; oral (7) ; dermal (7) ; eye contact (7).
Mechanism of ToxicityThe primary and most sensitive target of the perchlorate anion (perchlorate) is the thyroid gland. Perchlorate inhibits the transport of iodide (I-) from the blood into the thyroid follicle cells. The inhibition is thought to be accomplished by perchlorate competitively blocking iodide binding to a carrier, or sodium/iodide symporter (NIS), which catalyzes the simultaneous transfer of Na+ and I-across the basolateral membrane of thyroid follicle cells. Perchlorate inhibition of the NIS can limit the availability of iodide needed for the production of the thyroid hormones thyroxine (4) and triiodothyronine (5), which in turn, may affect the circulating levels of T4 and T3. All known effects of perchlorate on the thyroid hormone system derive directly or secondarily from the inhibition of the NIS. T3 is essential for normal development of the nervous system and for the regulation of metabolism of cells in nearly all tissues of the body. Disruption in the availability of T3 in target tissues can result in adverse effects on a wide variety of organs and systems (7).
MetabolismThere is no evidence that ammonium perchlorate is metabolized in the body. It is rapidly eliminated from the body through the urinary tract (7).
Toxicity ValuesLD50: 4200 mg/kg (Oral, Rat) (2) LD50: 1900 mg/kg (Oral, Rabbit) (2)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesBreathing in contaminated air; drinking contaminated water; eating contaminated food; dermal and eye exposure (7).
Minimum Risk LevelChronic Oral: 0.0007 mg/kg/day (9)
Health EffectsAdverse effects on a wide variety of organ systems can result from disruption in the availability of T3 to target tissues. Organ systems affected by disturbances in T3 levels include the skin, cardiovascular system, pulmonary system, kidneys, gastrointestinal tract, liver, blood, neuromuscular system, central nervous system, skeleton, male and female reproductive systems, and numerous endocrine organs, including the pituitary and adrenal glands. Such an array of secondary potential targets underscores the need to maintain an adequate level of circulating thyroid hormones. Perchlorate, an environmental contaminant, is known to disturb the hypothalamus-pituitary-thyroid (HPT) axis by blocking iodide accumulation in the thyroid. Iodide deficiency can lead to hypothyroidism and goiter (7, 1).
SymptomsIrritating to skin, eyes, and respiratory system, depending on the route of exposure. Esophageal or gastrointestinal tract irritation could occur following exposures (7).
TreatmentIn case of oral exposure, immediately dilute with 4 to 8 ounces (120 to 240 mol) of water or milk. Consider after ingestion of a potentially life-threatening amount of poison if it can be performed soon after ingestion (generally within 1 hour). Protect airway by placement in Trendelenburg and left lateral decubitus position or by endotracheal intubation. Control any seizures first. Maintain ventilation and oxygenation and evaluate with frequent arterial blood gas or pulse oximetry monitoring. Early use of PEEP and mechanical ventilation may be needed. Following inhalation, Move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of acute lung injury, maintain ventilation and oxygenation and evaluate with frequent arterial blood gas or pulse oximetry monitoring. Following eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. Following dermal exposure, remove contaminated clothing and wash exposed area thoroughly with soap and water. A physician may need to examine the area if irritation or pain persists. Treat dermal irritation or burns with standard topical therapy. Patients developing dermal hypersensitivity reactions may require treatment with systemic or topical corticosteroids or antihistamines. (3)
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
PubChem Compound ID24639
ChEMBL IDCHEMBL1879693
ChemSpider ID23041
KEGG IDNot Available
UniProt IDNot Available
OMIM ID
ChEBI IDNot Available
BioCyc IDNot Available
CTD IDC053506
Stitch IDAmmonium perchlorate
PDB IDNot Available
ACToR ID7639
Wikipedia LinkNot Available
References
Synthesis ReferenceNot Available
MSDST3D1914.pdf
General References
  1. Innocenti A, Vullo D, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of isozymes I, II, IV, V, and IX with anions isosteric and isoelectronic with sulfate, nitrate, and carbonate. Bioorg Med Chem Lett. 2005 Feb 1;15(3):567-71. [15664814 ]
  2. Lewis RJ Sr. (ed) (2004). Sax's Dangerous Properties of Industrial Materials. 11th Edition. Hoboken, NJ: Wiley-Interscience, Wiley & Sons, Inc.
  3. Rumack BH (2009). POISINDEX(R) Information System. Englewood, CO: Micromedex, Inc. CCIS Volume 141, edition expires Aug, 2009.
  4. Ellenhorn MJ and Barceloux DG (1988). Diagnosis and treatment of human poisoning. Medical Toxicology. New York, New York: Elsevier Science Publishing Company, Inc.
  5. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  6. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. [Link]
  7. ATSDR - Agency for Toxic Substances and Disease Registry (2008). Toxicological profile for perchlorates. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  8. Wikipedia. Ammonium perchlorate. Last Updated 21 May 2009. [Link]
  9. ATSDR - Agency for Toxic Substances and Disease Registry (2008). Toxicological guide to perchlorates. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Gene Regulation
Up-Regulated GenesNot Available
Down-Regulated GenesNot Available

Targets

General Function:
Sodium:iodide symporter activity
Specific Function:
Mediates iodide uptake in the thyroid gland.
Gene Name:
SLC5A5
Uniprot ID:
Q92911
Molecular Weight:
68665.63 Da
References
  1. MacAllister IE, Jakoby MG 4th, Geryk B, Schneider RL, Cropek DM: Use of the thyrocyte sodium iodide symporter as the basis for a perchlorate cell-based assay. Analyst. 2009 Feb;134(2):320-4. doi: 10.1039/b802710b. Epub 2008 Oct 30. [19173056 ]
General Function:
Temperature-gated cation channel activity
Specific Function:
Receptor-activated non-selective cation channel involved in detection of pain and possibly also in cold perception and inner ear function (PubMed:25389312, PubMed:25855297). Has a central role in the pain response to endogenous inflammatory mediators and to a diverse array of volatile irritants, such as mustard oil, cinnamaldehyde, garlic and acrolein, an irritant from tears gas and vehicule exhaust fumes (PubMed:25389312, PubMed:20547126). Is also activated by menthol (in vitro)(PubMed:25389312). Acts also as a ionotropic cannabinoid receptor by being activated by delta(9)-tetrahydrocannabinol (THC), the psychoactive component of marijuana (PubMed:25389312). May be a component for the mechanosensitive transduction channel of hair cells in inner ear, thereby participating in the perception of sounds. Probably operated by a phosphatidylinositol second messenger system (By similarity).
Gene Name:
TRPA1
Uniprot ID:
O75762
Molecular Weight:
127499.88 Da
References
  1. Nilius B, Prenen J, Owsianik G: Irritating channels: the case of TRPA1. J Physiol. 2011 Apr 1;589(Pt 7):1543-9. doi: 10.1113/jphysiol.2010.200717. Epub 2010 Nov 15. [21078588 ]