| Record Information |
|---|
| Version | 2.0 |
|---|
| Creation Date | 2009-06-22 16:08:30 UTC |
|---|
| Update Date | 2014-12-24 20:24:32 UTC |
|---|
| Accession Number | T3D1727 |
|---|
| Identification |
|---|
| Common Name | Calcium bromide |
|---|
| Class | Small Molecule |
|---|
| Description | Calcium bromide is a chemical compound of calcium and bromine. It can be found in drilling fluids, neuroses medication, freezing mixtures, food preservatives, photography and fire retardants. Bromine is a halogen element with the symbol Br and atomic number 35. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock. (3, 6) |
|---|
| Compound Type | - Bromide Compound
- Food Toxin
- Inorganic Compound
- Synthetic Compound
|
|---|
| Chemical Structure | |
|---|
| Synonyms | | Synonym | | CaBr2 | | Calcium bromide (CaBr2) | | Hydrobromic acid calcium salt | | Kalziumbromid |
|
|---|
| Chemical Formula | Br2Ca |
|---|
| Average Molecular Mass | 199.886 g/mol |
|---|
| Monoisotopic Mass | 197.799 g/mol |
|---|
| CAS Registry Number | 7789-41-5 |
|---|
| IUPAC Name | dibromocalcium |
|---|
| Traditional Name | calcium bromide |
|---|
| SMILES | Br[Ca]Br |
|---|
| InChI Identifier | InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2 |
|---|
| InChI Key | InChIKey=WGEFECGEFUFIQW-UHFFFAOYSA-L |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of inorganic compounds known as alkaline earth metal bromides. These are inorganic compounds in which the largest halogen atom is Bromine, and the heaviest metal atom a lanthanide. |
|---|
| Kingdom | Inorganic compounds |
|---|
| Super Class | Mixed metal/non-metal compounds |
|---|
| Class | Alkaline earth metal salts |
|---|
| Sub Class | Alkaline earth metal bromides |
|---|
| Direct Parent | Alkaline earth metal bromides |
|---|
| Alternative Parents | |
|---|
| Substituents | - Alkaline earth metal bromide
- Inorganic calcium salt
- Inorganic salt
|
|---|
| Molecular Framework | Not Available |
|---|
| External Descriptors | |
|---|
| Biological Properties |
|---|
| Status | Detected and Not Quantified |
|---|
| Origin | Exogenous |
|---|
| Cellular Locations | |
|---|
| Biofluid Locations | Not Available |
|---|
| Tissue Locations | Not Available |
|---|
| Pathways | Not Available |
|---|
| Applications | Not Available |
|---|
| Biological Roles | Not Available |
|---|
| Chemical Roles | Not Available |
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Appearance | Colorless crystals. |
|---|
| Experimental Properties | | Property | Value |
|---|
| Melting Point | 730°C | | Boiling Point | 1935°C | | Solubility | Not Available | | LogP | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | | Spectrum Type | Description | Splash Key | Deposition Date | View |
|---|
| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0900000000-c48b5c35403070f76d0f | 2019-02-23 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0900000000-18382b02f67935c50872 | 2019-02-23 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-1900000000-f93c829053a473fe1f45 | 2019-02-23 | View Spectrum |
|
|---|
| Toxicity Profile |
|---|
| Route of Exposure | Oral (4) ; inhalation (4) ; dermal (4) |
|---|
| Mechanism of Toxicity | Bromine is a powerful oxidizing agent and is able to release oxygen free radicals from the water in mucous membranes. These free radicals are also potent oxidizers and produce tissue damage. In additon, the formation of hydrobromic and bromic acids will result in secondary irritation. The bromide ion is also known to affect the central nervous system, causing bromism. This is believed to be a result of bromide ions substituting for chloride ions in the in actions of neurotransmitters and transport systems, thus affecting numerous synaptic processes. (4, 5, 1) |
|---|
| Metabolism | Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (4) |
|---|
| Toxicity Values | Not Available |
|---|
| Lethal Dose | Not Available |
|---|
| Carcinogenicity (IARC Classification) | No indication of carcinogenicity to humans (not listed by IARC). |
|---|
| Uses/Sources | Calcium bromide can be found in drilling fluids, neuroses medication, freezing mixtures, food preservatives, photography and fire retardants. (6) |
|---|
| Minimum Risk Level | Not Available |
|---|
| Health Effects | Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (3, 4, 5) |
|---|
| Symptoms | Bromine vapour causes irritation and direct damage to the mucous membranes. Symptoms include lacrimation, rhinorrhoea, eye irritation with mucous secretions from the oropharyngeal and upper airways, coughing, dyspnoea, choking, wheezing, epistaxis, and headache. The bromide ion is a central nervous system depressant producing ataxia, slurred speech, tremor, nausea, vomiting, lethargy, dizziness, visual disturbances, unsteadiness, headaches, impaired memory and concentration, disorientation and hallucinations. This is called bromism. (4, 5) |
|---|
| Treatment | EYES: 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 |
|---|
| External Links |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | Not Available |
|---|
| PubChem Compound ID | 5360316 |
|---|
| ChEMBL ID | Not Available |
|---|
| ChemSpider ID | Not Available |
|---|
| KEGG ID | C13189 |
|---|
| UniProt ID | Not Available |
|---|
| OMIM ID | |
|---|
| ChEBI ID | 31338 |
|---|
| BioCyc ID | Not Available |
|---|
| CTD ID | C113019 |
|---|
| Stitch ID | Calcium bromide |
|---|
| PDB ID | Not Available |
|---|
| ACToR ID | 12215 |
|---|
| Wikipedia Link | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| MSDS | T3D1727.pdf |
|---|
| General References | - Ziouzenkova O, Orasanu G, Sharlach M, Akiyama TE, Berger JP, Viereck J, Hamilton JA, Tang G, Dolnikowski GG, Vogel S, Duester G, Plutzky J: Retinaldehyde represses adipogenesis and diet-induced obesity. Nat Med. 2007 Jun;13(6):695-702. Epub 2007 May 27. [17529981 ]
- Golomb, BA (1999). A Review of the Scientific Literature As It Pertains to Gulf War Illnesses. Volume 2: Pyridostigmine Bromide. Washington, DC: RAND.
- Wikipedia. Bromine. Last Updated 9 June 2009. [Link]
- International Programme on Chemical Safety (IPCS) INCHEM (1992). Poison Information Monograph for Bromine. [Link]
- Wikipedia. Potassium bromide. Last Updated 9 June 2009. [Link]
- Wikipedia. Calcium bromide. Last Updated 3 June 2009. [Link]
|
|---|
| Gene Regulation |
|---|
| Up-Regulated Genes | Not Available |
|---|
| Down-Regulated Genes | Not Available |
|---|
