1,4-Dibromobenzene - CAS 106-37-6
Catalog: |
BB001857 |
Product Name: |
1,4-Dibromobenzene |
CAS: |
106-37-6 |
Synonyms: |
1,4-dibromobenzene |
IUPAC Name: | 1,4-dibromobenzene |
Description: | 1,4-Dibromobenzene (CAS# 106-37-6) is used in the synthesis of triarylamines as well as trans-stilbenes. Also used in the synthesis of calcium channel blockers for inhibition of TRPV6-mediated calcium transport. |
Molecular Weight: | 235.90 |
Molecular Formula: | C6H4Br2 |
Canonical SMILES: | C1=CC(=CC=C1Br)Br |
InChI: | InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H |
InChI Key: | SWJPEBQEEAHIGZ-UHFFFAOYSA-N |
Boiling Point: | 219 ℃ |
Melting Point: | 87.3 °C |
Purity: | 97 % |
Density: | 1.841 g/cm3 |
Solubility: | Soluble in toluene, Very sol in hot toluene; very soluble in carbon disulfide |
Appearance: | White or off-white powder |
Storage: | Inert atmosphere, Room Temperature |
Decomposition: | Moderately dangerous; when heated to decomposition, It emits toxic fumes of /hydrogen bromide |
MDL: | MFCD00000089 |
LogP: | 3.21160 |
Vapor Pressure: | 0.05 [mmHg] |
GHS Hazard Statement: | H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]; H373: Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]; H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P260, P264, P270, P273, P319, P391, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22669193 | 20120601 | Structural characteristics of dibromoborylated benzene derivatives | Acta crystallographica. Section C, Crystal structure communications |
22439752 | 20120323 | Carpet-dust chemicals as measures of exposure: Implications of variability | Emerging themes in epidemiology |
22148728 | 20120208 | Metal-macrocycle framework (MMF): supramolecular nano-channel surfaces with shape sorting capability | Journal of the American Chemical Society |
22182988 | 20120204 | An improved singlet oxygen sensitizer with two-photon absorption and emission in the biological transparency window as a result of ground state symmetry-breaking | Chemical communications (Cambridge, England) |
21900862 | 20110906 | Synthesis, spectroscopic properties and antipathogenic activity of new thiourea derivatives | Molecules (Basel, Switzerland) |
Complexity: | 54.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.86593 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.86798 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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