Chromium(III) chloride (CHEM001230)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (6)XML
Record Information
Version1.0
Creation Date2009-06-19 21:58:47 UTC
Update Date2026-05-14 19:02:43 UTC
Accession NumberCHEM001230
Identification
Common NameChromium(III) chloride
ClassSmall Molecule
DescriptionChromium(III) chloride is a chloride of chromium. It is used in organic synthesis and reactions. Chromium is a chemical element which has the symbol Cr and atomic number 24. It is found naturally occuring in rocks, animals, plants, and soil, and is usually mined as chromite ore. Chromium is most toxic in its +6 oxidation state (chromium(VI)) due to its greater ability to enter cells and higher redox potential. Trivalent chromium (chromium(III)) however, is biologically necessary for sugar and lipid metabolism in humans. (6, 8)
Contaminant Sources
  • Clean Air Act Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 3
  • T3DB toxins
Contaminant Type
  • Chromium Compound
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Pollutant
  • Synthetic Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Anhydrous chromium(III) chlorideChEBI
Chromium chlorideChEBI
Chromium trichlorideChEBI
Chromium(III) chlorideChEBI
CRCL3ChEBI
Puratronic chromium chlorideChEBI
TrichlorochromiumChEBI
Chromic chloride, 51CR-labeledMeSH
Chromic chloride hexahydrateMeSH
Chromic chloride anhydrousMeSH
Chromic chlorideChEBI
Chemical FormulaCl3Cr
Average Molecular Mass158.350 g/mol
Monoisotopic Mass156.847 g/mol
CAS Registry Number10025-73-7
IUPAC Namechromium(3+) ion trichloride
Traditional Namechromium(3+) ion trichloride
SMILES[Cl-].[Cl-].[Cl-].[Cr+3]
InChI IdentifierInChI=1S/3ClH.Cr/h3*1H;/q;;;+3/p-3
InChI KeyQSWDMMVNRMROPK-UHFFFAOYSA-K
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassTransition metal salts
Sub ClassTransition metal chlorides
Direct ParentTransition metal chlorides
Alternative Parents
Substituents
  • Transition metal chloride
  • Inorganic chloride salt
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
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 Roles
Physical Properties
StateSolid
AppearancePurple solid.
Experimental Properties
PropertyValue
Melting Point1152°C (anhydrous) 83°C (hexahydrate)
Boiling Point1300°C (decomposes)
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility5.83 g/LALOGPS
logP2.09ALOGPS
logP0.61ChemAxon
logS-1.4ALOGPS
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 FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0900000000-14786bf2fd4c3ea303eaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-0900000000-14786bf2fd4c3ea303eaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-0900000000-14786bf2fd4c3ea303eaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0900000000-7e7503cd5ae8013c4723Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0900000000-7e7503cd5ae8013c4723Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-0900000000-7e7503cd5ae8013c4723Spectrum
Toxicity Profile
Route of ExposureOral (5) ; inhalation (5) ; dermal (5)
Mechanism of ToxicityTrivalent chromium may also form complexes with peptides, proteins, and DNA, resulting in DNA-protein crosslinks, DNA strand breaks, DNA-DNA interstrand crosslinks, chromium-DNA adducts, chromosomal aberrations and alterations in cellular signaling pathways. It has been shown to induce carcinogenesis by overstimulating cellular regulatory pathways and increasing peroxide levels by activating certain mitogen-activated protein kinases. It can also cause transcriptional repression by cross-linking histone deacetylase 1-DNA methyltransferase 1 complexes to CYP1A1 promoter chromatin, inhibiting histone modification. Chromium may increase its own toxicity by modifying metal regulatory transcription factor 1, causing the inhibition of zinc-induced metallothionein transcription. (1, 5, 2, 3, 4)
MetabolismChromium is absorbed from oral, inhalation, or dermal exposure and distributes to nearly all tissues, with the highest concentrations found in kidney and liver. Bone is also a major storage site and may contribute to long-term retention. Hexavalent chromium's similarity to sulfate and chromate allow it to be transported into cells via sulfate transport mechanisms. Inside the cell, hexavalent chromium is reduced first to pentavalent chromium, then to trivalent chromium by many substances including ascorbate, glutathione, and nicotinamide adenine dinucleotide. Chromium is almost entirely excreted with the urine. (1, 5)
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)3, not classifiable as to its carcinogenicity to humans. (7)
Uses/SourcesChromium(III) chloride is used in organic synthesis and reactions. (8)
Minimum Risk LevelNot Available
Health EffectsChromium in its trivalent state is not very toxic. It may be oxidized to hexavalent chromium, a known carcinogen. Hexavalent chromium has also been shown to affect reproduction and development. (1)
SymptomsChromium in its trivalent state is not very toxic, but it may be oxidized to hexavalent chromium. Breathing hexavalent chromium can cause irritation to the lining of the nose, nose ulcers, runny nose, and breathing problems, such as asthma, cough, shortness of breath, or wheezing. Ingestion of hexavalent chromium causes irritation and ulcers in the stomach and small intestine, as well as anemia. Skin contact can cause skin ulcers. (5)
TreatmentThere is no know antidote for chromium poisoning. Exposure is usually handled with symptomatic treatment. (5)
Concentrations
Not Available
DrugBank IDDB09129
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 LinkChromium(III)_chloride
Chemspider IDNot Available
ChEBI ID53351
PubChem Compound ID24808
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=1108802
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=1254974
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=16349963
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=19013231
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=20237381
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=29079364
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=5112173
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=670731
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=7351481