6-Bromo-1,3-benzodioxole-5-carboxaldehyde - CAS 15930-53-7
Catalog: |
BB011518 |
Product Name: |
6-Bromo-1,3-benzodioxole-5-carboxaldehyde |
CAS: |
15930-53-7 |
Synonyms: |
6-bromo-1,3-benzodioxole-5-carbaldehyde |
IUPAC Name: | 6-bromo-1,3-benzodioxole-5-carbaldehyde |
Description: | 6-Bromo-1,3-benzodioxole-5-carboxaldehyde (CAS# 15930-53-7 ) is a useful research chemical. |
Molecular Weight: | 229.03 |
Molecular Formula: | C8H5BrO3 |
Canonical SMILES: | C1OC2=C(O1)C=C(C(=C2)C=O)Br |
InChI: | InChI=1S/C8H5BrO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2 |
InChI Key: | CSQUXTSIDQURDV-UHFFFAOYSA-N |
Boiling Point: | 309.2 °C at 760 mmHg |
Melting Point: | 128-132 °C(lit.) |
Purity: | 95 % |
Density: | 1.782 g/cm3 |
Appearance: | White to light yellow powder |
MDL: | MFCD00022952 |
LogP: | 1.99030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021230173-A1 | Heterocyclic lsf inhibitors and their uses | 20200124 |
WO-2020129082-A1 | Compounds for the inhibition of unregulated cell growth | 20181217 |
CN-113365615-A | Compounds for inhibiting unregulated cell growth | 20181217 |
US-2020024262-A1 | Enantiomerically purified gper angonist for use in treating disease states and conditions | 20180721 |
US-2020140417-A1 | Enantiomerically purified gper agonist for use in treating disease states and conditions | 20180721 |
PMID | Publication Date | Title | Journal |
16520733 | 20060401 | Virtual and biomolecular screening converge on a selective agonist for GPR30 | Nature chemical biology |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.94221 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.94221 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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