1,3,5-Tribromobenzene - CAS 626-39-1
Catalog: |
BB031706 |
Product Name: |
1,3,5-Tribromobenzene |
CAS: |
626-39-1 |
Synonyms: |
1,3,5-tribromobenzene |
IUPAC Name: | 1,3,5-tribromobenzene |
Description: | 1,3,5-Tribromobenzene (CAS# 626-39-1) is a reagent that can be used in the preparation of different inhibitors. It is also a substituted Bromobenzene, a general reagent in palladium-catalyzed reactions and in the synthesis of Grignard reagents. |
Molecular Weight: | 314.80 |
Molecular Formula: | C6H3Br3 |
Canonical SMILES: | C1=C(C=C(C=C1Br)Br)Br |
InChI: | InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H |
InChI Key: | YWDUZLFWHVQCHY-UHFFFAOYSA-N |
Boiling Point: | 271 °C |
Purity: | 98 % |
Density: | 2.281 g/cm3 |
Appearance: | Lump powder |
MDL: | MFCD00000080 |
LogP: | 3.97410 |
GHS Hazard Statement: | H315 (15.69%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
26318274 | 20151201 | The brominated flame retardants TBP-AE and TBP-DBPE antagonize the chicken androgen receptor and act as potential endocrine disrupters in chicken LMH cells | Toxicology in vitro : an international journal published in association with BIBRA |
22808946 | 20120803 | Diamination of phenylene dihalides catalyzed by a dicopper complex | The Journal of organic chemistry |
22148267 | 20120117 | Deposition of brominated flame retardants to the Devon Ice Cap, Nunavut, Canada | Environmental science & technology |
21836854 | 20110701 | Crystallographic coincidence of two bridging species in a dinuclear Co ethynyl-benzene complex | Acta crystallographica. Section E, Structure reports online |
21222493 | 20110204 | Synthesis of di-, tri-, and tetrasulfides through multifold carbon-sulfur cross-coupling reactions with indium tri(organothiolates) in a one-pot procedure | The Journal of organic chemistry |
Complexity: | 63.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.77644 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.77849 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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