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Record Information
Version3.6
Creation Date2012-09-11 17:42:21 UTC
Update Date2014-09-22 19:32:44 UTC
HMDB IDHMDB31330
Secondary Accession NumbersNone
Metabolite Identification
Common NameCarbon tetrachloride
DescriptionGrain fumigant Carbon tetrachloride has been shown to exhibit anesthetic, metal chelator and hepatoprotective functions (PMID 6287886 , 6893049 , 18783728 ). Carbon tetrachloride belongs to the family of Chlorocarbons. These are Any Compound consisting wholly of chlorine and carbon. (Reference: [1] IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook. (Or PAC, 1995, 67, 1307 (Glossary of class names of organic compounds and reactivity intermediates based on structure (IUPAC Recommendations 1995)) on page 1328)).
Structure
Thumb
Synonyms
  1. Carbon chloride?
  2. Carbon tet
  3. Carbontetrachloride
  4. F10
  5. Freon 10
  6. Halon 104
  7. Halon 1040
  8. HSDB 53
  9. Methane tetrachloride
  10. Necatorine
  11. Perchloromethane
  12. R10
  13. Refrigerant R10
  14. Tetra
  15. Tetrachloro-Methane
  16. Tetrachloromethane, 9CI
  17. Tetrasol
  18. Thawpit
  19. Univerm
  20. Vermoestricid
Chemical FormulaCCl4
Average Molecular Weight153.823
Monoisotopic Molecular Weight151.875410828
IUPAC Nametetrachloromethane
Traditional Namecarbona
CAS Registry Number56-23-5
SMILES
ClC(Cl)(Cl)Cl
InChI Identifier
InChI=1S/CCl4/c2-1(3,4)5
InChI KeyVZGDMQKNWNREIO-UHFFFAOYSA-N
Chemical Taxonomy
KingdomOrganic Compounds
Super ClassOrganic Halides
ClassOrganochlorides
Sub ClassChlorocarbons
Other Descriptors
  • Aliphatic Acyclic Compounds
  • Organic Compounds
  • a small molecule(Cyc)
  • chlorocarbon(ChEBI)
  • chloromethanes(ChEBI)
Substituents
  • N/A
Direct ParentChlorocarbons
Ontology
StatusDetected and Quantified
Origin
  • Endogenous
  • Food
Biofunction
  • anesthetic
  • hepatoprotective
  • metal chelator
Application
  • Nutrient
Cellular locations
  • Membrane
Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point28.6 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.793 mg/mL at 25 °CNot Available
LogP2.83Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.81ALOGPS
logP2.64ALOGPS
logP3ChemAxon
logS-1.9ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity2.3 m3·mol-1ChemAxon
Polarizability10.5 Å3ChemAxon
Spectra
SpectraMS1D NMR
Biological Properties
Cellular Locations
  • Membrane
Biofluid Locations
  • Blood
Tissue LocationNot Available
PathwaysNot Available
Normal Concentrations
BiofluidStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.0000650 (0.0000325-0.000065) uMAdult (>18 years old)Not SpecifiedNormal
    • National Health a...
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDFDB003393
KNApSAcK IDNot Available
Chemspider ID5730
KEGG Compound IDC07561
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCarbon_tetrachloride
NuGOwiki LinkHMDB31330
Metagene LinkHMDB31330
METLIN IDNot Available
PubChem Compound5943
PDB IDNot Available
ChEBI ID27385
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Plummer JL, Beckwith AL, Bastin FN, Adams JF, Cousins MJ, Hall P: Free radical formation in vivo and hepatotoxicity due to anesthesia with halothane. Anesthesiology. 1982 Sep;57(3):160-6. Pubmed: 6287886
  2. Drake HL, Hu SI, Wood HG: Purification of carbon monoxide dehydrogenase, a nickel enzyme from Clostridium thermocaceticum. J Biol Chem. 1980 Aug 10;255(15):7174-80. Pubmed: 6893049
  3. Zeashan H, Amresh G, Singh S, Rao CV: Hepatoprotective activity of Amaranthus spinosus in experimental animals. Food Chem Toxicol. 2008 Nov;46(11):3417-21. doi: 10.1016/j.fct.2008.08.013. Epub 2008 Aug 22. Pubmed: 18783728
  4. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.