4-Bromobenzyl bromide - CAS 589-15-1
Catalog: |
BB030204 |
Product Name: |
4-Bromobenzyl bromide |
CAS: |
589-15-1 |
Synonyms: |
1-bromo-4-(bromomethyl)benzene |
IUPAC Name: | 1-bromo-4-(bromomethyl)benzene |
Description: | 4-Bromobenzyl Bromide was used to prepare selective nonpeptide AT2 receptor agonists. It was also used in the synthesis of rhodanine derivatives as PRL-3 inhibitors. |
Molecular Weight: | 249.93 |
Molecular Formula: | C7H6Br2 |
Canonical SMILES: | C1=CC(=CC=C1CBr)Br |
InChI: | InChI=1S/C7H6Br2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2 |
InChI Key: | YLRBJYMANQKEAW-UHFFFAOYSA-N |
Boiling Point: | 115-124 °C (12 mmHg) |
Melting Point: | 60-64 °C |
Purity: | 95 % |
Density: | 1.849 g/cm3 |
Appearance: | White solid |
Storage: | Store at R.T. |
MDL: | MFCD00000179 |
LogP: | 3.34400 |
GHS Hazard Statement: | H314 (96.77%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P272, P280, P285, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P333+P313, P342+P311, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22376008 | 20120322 | Synthesis, X-ray analysis, and biological evaluation of a new class of stereopure lactam-based HIV-1 protease inhibitors | Journal of medicinal chemistry |
22148754 | 20120112 | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors | Journal of medicinal chemistry |
19217534 | 20090201 | Synthesis and PET studies of [(11)C-cyano]letrozole (Femara), an aromatase inhibitor drug | Nuclear medicine and biology |
21581835 | 20090108 | 3,6-Dibromo-9-(4-bromo-benz-yl)-9H-carbazole | Acta crystallographica. Section E, Structure reports online |
19105723 | 20090101 | Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound | Journal of combinatorial chemistry |
Complexity: | 75 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.88158 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.88363 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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