4-Iodobenzyl bromide - CAS 16004-15-2
Catalog: |
BB011597 |
Product Name: |
4-Iodobenzyl bromide |
CAS: |
16004-15-2 |
Synonyms: |
1-(bromomethyl)-4-iodobenzene |
IUPAC Name: | 1-(bromomethyl)-4-iodobenzene |
Description: | 4-Iodobenzyl bromide (CAS# 16004-15-2) is a useful research chemical. |
Molecular Weight: | 296.93 |
Molecular Formula: | C7H6BrI |
Canonical SMILES: | C1=CC(=CC=C1CBr)I |
InChI: | InChI=1S/C7H6BrI/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2 |
InChI Key: | BQTRMYJYYNQQGK-UHFFFAOYSA-N |
Boiling Point: | 140 °C / 15 mmHg |
Melting Point: | 77-82 °C |
Purity: | 95 % |
Density: | 2.105 g/cm3 |
Appearance: | Light yellow adhering crystalline powder |
Storage: | 2-8 °C |
MDL: | MFCD00209656 |
LogP: | 3.18610 |
GHS Hazard Statement: | H314 (99.28%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21212892 | 20110221 | Heterobimetallic complexes containing an N-heterocyclic carbene based multidentate ligand and catalyzed tandem click/Sonogashira reactions | Dalton transactions (Cambridge, England : 2003) |
21755053 | 20110101 | Synthesis and in vitro evaluation of novel nortropane derivatives as potential radiotracers for muscarinic m(2) receptors | International journal of molecular imaging |
19105723 | 20090101 | Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound | Journal of combinatorial chemistry |
19105725 | 20090101 | Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction | Journal of combinatorial chemistry |
18057742 | 20071201 | Ascorbate analogs for use in medical imaging: synthesis and radical scavenging activity of 5-O-(4'-iodobenzyl)-L-ascorbic acid | Chemical & pharmaceutical bulletin |
Complexity: | 77 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.86976 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.86976 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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