5-Bromothiophene-2-boronic Acid - CAS 162607-17-2
Catalog: |
BB011886 |
Product Name: |
5-Bromothiophene-2-boronic Acid |
CAS: |
162607-17-2 |
Synonyms: |
(5-bromo-2-thiophenyl)boronic acid; (5-bromothiophen-2-yl)boronic acid |
IUPAC Name: | (5-bromothiophen-2-yl)boronic acid |
Description: | Reactant involved in: Suzuki coupling reactions for the synthesis of benzotriazole-containing organic sensitizers and meso-Polyarylamide-BODIPY hybrids; Suzuki-Miyaura coupling for the synthesis of ratanhine; Microwave-assisted Sonogashira reactions for the synthesis of ethynylarylboronates. |
Molecular Weight: | 206.85 |
Molecular Formula: | C4H4BrO2SB |
Canonical SMILES: | B(C1=CC=C(S1)Br)(O)O |
InChI: | InChI=1S/C4H4BBrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H |
InChI Key: | USJPOBDLWVCPGG-UHFFFAOYSA-N |
Boiling Point: | 342.3 °C at 760 mmHg |
Melting Point: | 95-100 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.87 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD02094028 |
LogP: | 0.19040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021146255-A1 | Compositions comprising a lipolytic enzyme variant and methods of use thereof | 20200113 |
WO-2021115912-A1 | Formulations comprising a hydrophobically modified polyethyleneimine and one or more enzymes | 20191209 |
WO-2021074430-A1 | Storage-stable hydrolase containing liquids | 20191018 |
WO-2021058452-A1 | Mannanase for formulations having ph 5-12 | 20190923 |
WO-2021058453-A1 | Mannanase for formulations having ph 5-12 | 20190923 |
PMID | Publication Date | Title | Journal |
15727879 | 20050315 | Structure-activity relationship for aryl and heteroaryl boronic acid inhibitors of hormone-sensitive lipase | Bioorganic & medicinal chemistry |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.92084 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.92084 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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