<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1454</id>
  <title>T3D1450</title>
  <common-name>Chromocene</common-name>
  <description>Chromocene, formally known as bis(н_Њ‡5-cyclopentadienyl)chromium(II), is a chemical compound with the condensed structural formula . Each molecule contains an atom of chromium bound between two planar systems of five carbon atoms known as cyclopentadienyl (Cp) rings in a sandwich arrangement, which is the reason its formula is often abbreviated as Cp2Cr.  Chromium compounds are toxic, although Cr(VI) species are usually considered more dangerous than reduced chromium compounds. Chromocene is highly reactive toward air and could ignite upon exposure to the atmosphere.</description>
  <cas>1271-24-5</cas>
  <pubchem-id>79154</pubchem-id>
  <chemical-formula>C10H10Cr</chemical-formula>
  <weight>182.018760</weight>
  <appearance>Dark red crystals.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (L16) ; inhalation (L16) ; dermal (L16)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Trivalent 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. (A12, L16, A34, A35, A36)</mechanism-of-toxicity>
  <metabolism>Chromium 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. (A12, L16)</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity (not listed by IARC). (L135)</carcinogenicity>
  <use-source>Chromocene is used as a catalyst. (L526)</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Chromium 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. (A12)</health-effects>
  <symptoms>Chromium 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. (L16)</symptoms>
  <treatment>There is no know antidote for chromium poisoning. Exposure is usually handled with symptomatic treatment. (L16) </treatment>
  <created-at type="dateTime">2009-06-19T21:58:48Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:23:55Z</updated-at>
  <interacting-proteins>Sulfate transporter (P50443) Sulfate anion transporter 1 (Q9H2B4) (A12)</interacting-proteins>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>30677</chebi-id>
  <biocyc-id>ALPHAALPHA-TREHALOSE-66-BISMYCOLATE</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Chromocene</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins>Sulfate transporter (P50443)  
Sulfate anion transporter 1 (Q9H2B4) 
(A12)</transporting-proteins>
  <moldb-smiles>[Cr++].[CH-]1C=CC=C1.[CH-]1C=CC=C1</moldb-smiles>
  <moldb-formula>C10H10Cr</moldb-formula>
  <moldb-inchi>InChI=1S/2C5H5.Cr/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2</moldb-inchi>
  <moldb-inchikey>InChIKey=TYYBBNOTQFVVKN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">182.1825</moldb-average-mass>
  <moldb-mono-mass type="decimal">182.018762224</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>71485</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
