5-Bromo-1,4-benzodioxane - CAS 58328-39-5
Catalog: |
BB030005 |
Product Name: |
5-Bromo-1,4-benzodioxane |
CAS: |
58328-39-5 |
Synonyms: |
5-bromo-2,3-dihydro-1,4-benzodioxin; 5-bromo-2,3-dihydro-1,4-benzodioxine |
IUPAC Name: | 5-bromo-2,3-dihydro-1,4-benzodioxine |
Description: | 5-Bromo-1,4-benzodioxane (CAS# 58328-39-5) is a reagent used in the preparation of a kinase M2 activator for cancer therapy. |
Molecular Weight: | 215.04 |
Molecular Formula: | C8H7BrO2 |
Canonical SMILES: | C1COC2=C(O1)C=CC=C2Br |
InChI: | InChI=1S/C8H7BrO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2 |
InChI Key: | NGOZRIZXELGVHK-UHFFFAOYSA-N |
Boiling Point: | 260.9 °C at 760 mmHg |
Density: | 1.598 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD03095029 |
LogP: | 2.22030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021144439-A1 | Quinoxaline derivatives | 20200117 |
EP-3901147-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 20190125 |
WO-2020127960-A1 | Disubstituted alkyne derivatives | 20181221 |
EP-3898588-A1 | Disubstituted alkyne derivatives | 20181221 |
WO-2019145718-A1 | Compounds | 20180124 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.96294 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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