5-Bromo-6-bromomethyl-1,3-benzodioxole - CAS 5434-47-9
Catalog: |
BB028608 |
Product Name: |
5-Bromo-6-bromomethyl-1,3-benzodioxole |
CAS: |
5434-47-9 |
Synonyms: |
5-bromo-6-(bromomethyl)-1,3-benzodioxole |
IUPAC Name: | 5-bromo-6-(bromomethyl)-1,3-benzodioxole |
Description: | 5-Bromo-6-bromomethyl-1,3-benzodioxole (CAS# 5434-47-9 ) is a useful research chemical. |
Molecular Weight: | 293.94 |
Molecular Formula: | C8H6Br2O2 |
Canonical SMILES: | C1OC2=C(O1)C=C(C(=C2)CBr)Br |
InChI: | InChI=1S/C8H6Br2O2/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-2H,3-4H2 |
InChI Key: | FDCXAYVCUJDBJU-UHFFFAOYSA-N |
Boiling Point: | 322.9 ℃ at 760 mmHg |
Density: | 2.009 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00230428 |
LogP: | 3.07270 |
GHS Hazard Statement: | H314 (100%): 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 |
Publication Number | Title | Priority Date |
AU-2017359276-A1 | Selective inhibitors of genotoxic stress-induced IKK/NF-κÎ' pathways | 20161114 |
EP-3321264-A1 | Selective inhibitors of genotoxic stress-induced ikk/nf-kb pathways | 20161114 |
EP-3538529-A1 | SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS | 20161114 |
JP-2019535709-A | Selective inhibitor of IKK / NF-κB pathway induced by genotoxic stress | 20161114 |
US-2019276452-A1 | Selective inhibitors of gentotoxic steress-induced ikk/nf-kb pathways | 20161114 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.87141 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.87345 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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