5-Bromo-1-benzothiophene - CAS 4923-87-9
Catalog: |
BB026670 |
Product Name: |
5-Bromo-1-benzothiophene |
CAS: |
4923-87-9 |
Synonyms: |
5-bromo-1-benzothiophene; 5-bromo-1-benzothiophene |
IUPAC Name: | 5-bromo-1-benzothiophene |
Description: | 5-Bromo-1-benzothiophene (CAS# 4923-87-9) is used as a reactant in the preparation of 4-aminoquinolines and tetraoxanes displaying antimalarial activity. |
Molecular Weight: | 213.09 |
Molecular Formula: | C8H5BrS |
Canonical SMILES: | C1=CC2=C(C=CS2)C=C1Br |
InChI: | InChI=1S/C8H5BrS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H |
InChI Key: | RDSIMGKJEYNNLF-UHFFFAOYSA-N |
Boiling Point: | 105-107 °C |
Density: | 1.649 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03069318 |
LogP: | 3.66380 |
GHS Hazard Statement: | H302 (82.61%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111533696-A | Benzimidazole derivative, benzothiophene derivative, and preparation method and application thereof | 20200526 |
WO-2021208963-A1 | Bcl-2 inhibitor | 20200415 |
WO-2021163921-A1 | New compound and use thereof | 20200219 |
CN-110563773-A | Planar chiral ferrocene compound, intermediate thereof, preparation method and application | 20190920 |
CN-112409385-A | Azaaryl compounds and uses thereof | 20190822 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.92953 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.92953 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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