6-Bromobenzo[d][1,3]dioxole-5-carboxylic Acid - CAS 60546-62-5
Catalog: |
BB030723 |
Product Name: |
6-Bromobenzo[d][1,3]dioxole-5-carboxylic Acid |
CAS: |
60546-62-5 |
Synonyms: |
6-bromo-1,3-benzodioxole-5-carboxylic acid; 6-bromo-1,3-benzodioxole-5-carboxylic acid |
IUPAC Name: | 6-bromo-1,3-benzodioxole-5-carboxylic acid |
Description: | 6-Bromobenzo[d][1,3]dioxole-5-carboxylic Acid (CAS# 60546-62-5) is a useful research chemical. |
Molecular Weight: | 245.03 |
Molecular Formula: | C8H5BrO4 |
Canonical SMILES: | C1OC2=C(O1)C=C(C(=C2)C(=O)O)Br |
InChI: | InChI=1S/C8H5BrO4/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3H2,(H,10,11) |
InChI Key: | NRFYLBBOKXFHMO-UHFFFAOYSA-N |
Boiling Point: | 358.9 °C at 760 mmHg |
Density: | 1.894 g/cm3 |
MDL: | MFCD00156994 |
LogP: | 1.87600 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021028358-A | Adhesives and adhesive sheets | 20190809 |
CN-105859732-A | AD-35 preparation technology | 20160411 |
EP-3444253-A1 | Process for preparing ad-35 | 20160411 |
JP-2019516669-A | Method of preparing AD-35 | 20160411 |
TW-201736379-A | Process for preparing AD-35, intermediate compound and use of the same | 20160411 |
PMID | Publication Date | Title | Journal |
16839172 | 20060721 | Comparative study of the Kumada, Negishi, Stille, and Suzuki-Miyaura reactions in the synthesis of the indole alkaloids hippadine and pratosine | The Journal of organic chemistry |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.93712 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.93712 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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