Tin chloride (T3D1275)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationTargets (7)XML
Targets (7)
Record Information
Version2.0
Creation Date2009-06-19 21:58:32 UTC
Update Date2014-12-24 20:23:33 UTC
Accession NumberT3D1275
Identification
Common NameTin chloride
ClassSmall Molecule
DescriptionTin chloride (SnCl4) is an antioxidant in foods.
Compound Type
  • Food Toxin
  • Inorganic Compound
  • Metabolite
  • Synthetic Compound
  • Tin Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
Anhydrous tin tetrachloride
Fascat 4400
Libavius fuming spirit
Libavius' fuming spirit
SnCl4
Stagno
Stagno (tetracloruro di)
Stannic chloride
Stannic chloride fuming
Stannic chloride, anhydrous
Stannic tetrachloride
Tetrachloro-Stannane
Tetrachlorostannane
Tetrachlorostannane, 9CI
Tetrachlorotin
Tin (IV) chloride anhydrous
Tin chloride (1:4)
Tin chloride (SnCl4) (8CI)
Tin chloride, fuming
Tin chloride, fuming (dot)
Tin perchloride
Tin perchloride(dot)
Tin tetrachloride
Tin tetrachloride, anhydrous
Tin(IV) chloride
Tin(IV) tetrachloride
Tintetrachloride
Zinntetrachlorid
Chemical FormulaCl4Sn
Average Molecular Mass260.520 g/mol
Monoisotopic Mass259.778 g/mol
CAS Registry Number7646-78-8
IUPAC Nametin(4+) ion tetrachloride
Traditional Nametin(4+) ion tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4]
InChI IdentifierInChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4
InChI KeyInChIKey=HPGGPRDJHPYFRM-UHFFFAOYSA-J
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as post-transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a post-transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassPost-transition metal salts
Sub ClassPost-transition metal chlorides
Direct ParentPost-transition metal chlorides
Alternative Parents
Substituents
  • Post-transition metal chloride
  • Inorganic chloride salt
  • Inorganic tin salt
  • 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
StateLiquid
AppearanceColorless liquid.
Experimental Properties
PropertyValue
Melting Point-33°C
Boiling PointNot Available
SolubilityNot Available
LogPNot Available
Predicted Properties
PropertyValueSource
Water Solubility7.37 g/LALOGPS
logP2.62ALOGPS
logP0.61ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.62 m³·mol⁻¹ChemAxon
Polarizability2.39 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0090000000-1a2b45f4068735d1081d2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0090000000-1a2b45f4068735d1081d2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-0090000000-1a2b45f4068735d1081d2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0090000000-668e82a5fb515d5ecb6a2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-0090000000-668e82a5fb515d5ecb6a2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-0090000000-668e82a5fb515d5ecb6a2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0090000000-3078023e2a650e944fa02021-09-23View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0090000000-3078023e2a650e944fa02021-09-23View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-0090000000-c0b439961d0594eb33082021-09-23View Spectrum
Toxicity Profile
Route of ExposureOral (6) ; inhalation (6) ; dermal (6)
Mechanism of ToxicityInorganic and organic tin compounds are weak inhibitors of alcohol dehydrogenase. (1)
MetabolismThough tin metal is very poorly absorbed, tin compounds may be absorbed via oral, inhalation, or dermal routes, with organotin compounds being much more readily absorbed than inorganic tin compounds. Tin may enter the bloodstream and bind to hemoglobin, where it is distributed and accumulates mainly in the kidney, liver, lung, and bone. Tin and its metabolites are excreted mainly in the urine and feces. (6)
Toxicity ValuesLD50: 46 mg/kg (Intraperitoneal, Mouse) (3) LC50: 2300 mg/m3 over 10 minutes (Inhalation, Rat) (2)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsIngestion of large amounts of inorganic tin compounds can cause stomachache, anemia, and liver and kidney problems. (5, 6)
SymptomsInorganic or organic tin compounds placed on the skin or in the eyes can produce skin and eye irritation. (6)
TreatmentEYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB36546
PubChem Compound ID24287
ChEMBL IDNot Available
ChemSpider ID22707
KEGG IDNot Available
UniProt IDNot Available
OMIM ID
ChEBI IDNot Available
BioCyc IDNot Available
CTD IDC041694
Stitch IDTin(IV) chloride
PDB IDNot Available
ACToR ID6149
Wikipedia LinkNot Available
References
Synthesis ReferenceNot Available
MSDST3D1275.pdf
General References
  1. Bychkov PV, Shekhovtsova TN, Milaeva ER: Inhibition of horse liver alcohol dehydrogenase by methyltin compounds. Bioinorg Chem Appl. 2005:191-9. doi: 10.1155/BCA.2005.191. [18365099 ]
  2. Lewis RJ (1996). Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold.
  3. Venugopal B and Luckey TD (1978). Metal Toxicity in Mammals, 2. New York: Plenum Press.
  4. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.
  5. Wikipedia. Tributyltin. Last Updated 31 May 2009. [Link]
  6. ATSDR - Agency for Toxic Substances and Disease Registry (2005). Toxicological profile for tin. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  7. Wikipedia. Tin. Last Updated 28 May 2009. [Link]
Gene Regulation
Up-Regulated GenesNot Available
Down-Regulated GenesNot Available

Targets

Target Details
1. Alcohol dehydrogenase 1A
General Function:
Zinc ion binding
Specific Function:
Not Available
Gene Name:
ADH1A
Uniprot ID:
P07327
Molecular Weight:
39858.37 Da
References
  1. Bychkov PV, Shekhovtsova TN, Milaeva ER: Inhibition of horse liver alcohol dehydrogenase by methyltin compounds. Bioinorg Chem Appl. 2005:191-9. doi: 10.1155/BCA.2005.191. [18365099 ]
Target Details
2. Alcohol dehydrogenase 1B
General Function:
Zinc ion binding
Specific Function:
Not Available
Gene Name:
ADH1B
Uniprot ID:
P00325
Molecular Weight:
39854.21 Da
References
  1. Bychkov PV, Shekhovtsova TN, Milaeva ER: Inhibition of horse liver alcohol dehydrogenase by methyltin compounds. Bioinorg Chem Appl. 2005:191-9. doi: 10.1155/BCA.2005.191. [18365099 ]
Target Details
3. Alcohol dehydrogenase 1C
General Function:
Zinc ion binding
Specific Function:
Not Available
Gene Name:
ADH1C
Uniprot ID:
P00326
Molecular Weight:
39867.27 Da
References
  1. Bychkov PV, Shekhovtsova TN, Milaeva ER: Inhibition of horse liver alcohol dehydrogenase by methyltin compounds. Bioinorg Chem Appl. 2005:191-9. doi: 10.1155/BCA.2005.191. [18365099 ]
Target Details
4. Alcohol dehydrogenase 4
General Function:
Zinc ion binding
Specific Function:
Not Available
Gene Name:
ADH4
Uniprot ID:
P08319
Molecular Weight:
40221.335 Da
References
  1. Bychkov PV, Shekhovtsova TN, Milaeva ER: Inhibition of horse liver alcohol dehydrogenase by methyltin compounds. Bioinorg Chem Appl. 2005:191-9. doi: 10.1155/BCA.2005.191. [18365099 ]
Target Details
5. Alcohol dehydrogenase 6
General Function:
Zinc ion binding
Specific Function:
Not Available
Gene Name:
ADH6
Uniprot ID:
P28332
Molecular Weight:
39088.335 Da
References
  1. Bychkov PV, Shekhovtsova TN, Milaeva ER: Inhibition of horse liver alcohol dehydrogenase by methyltin compounds. Bioinorg Chem Appl. 2005:191-9. doi: 10.1155/BCA.2005.191. [18365099 ]
Target Details
6. Alcohol dehydrogenase class 4 mu/sigma chain
General Function:
Zinc ion binding
Specific Function:
Could function in retinol oxidation for the synthesis of retinoic acid, a hormone important for cellular differentiation. Medium-chain (octanol) and aromatic (m-nitrobenzaldehyde) compounds are the best substrates. Ethanol is not a good substrate but at the high ethanol concentrations reached in the digestive tract, it plays a role in the ethanol oxidation and contributes to the first pass ethanol metabolism.
Gene Name:
ADH7
Uniprot ID:
P40394
Molecular Weight:
41480.985 Da
References
  1. Bychkov PV, Shekhovtsova TN, Milaeva ER: Inhibition of horse liver alcohol dehydrogenase by methyltin compounds. Bioinorg Chem Appl. 2005:191-9. doi: 10.1155/BCA.2005.191. [18365099 ]
Target Details
7. Alcohol dehydrogenase class-3
General Function:
Zinc ion binding
Specific Function:
Class-III ADH is remarkably ineffective in oxidizing ethanol, but it readily catalyzes the oxidation of long-chain primary alcohols and the oxidation of S-(hydroxymethyl) glutathione.
Gene Name:
ADH5
Uniprot ID:
P11766
Molecular Weight:
39723.945 Da
References
  1. Bychkov PV, Shekhovtsova TN, Milaeva ER: Inhibition of horse liver alcohol dehydrogenase by methyltin compounds. Bioinorg Chem Appl. 2005:191-9. doi: 10.1155/BCA.2005.191. [18365099 ]