Indole-6-boronic Acid - CAS 147621-18-9
Catalog: |
BB010218 |
Product Name: |
Indole-6-boronic Acid |
CAS: |
147621-18-9 |
Synonyms: |
1H-indol-6-ylboronic acid; 1H-indol-6-ylboronic acid |
IUPAC Name: | 1H-indol-6-ylboronic acid |
Description: | Reactant involved in synthesis of: Indole compounds for use as HIV-1 glycoprotein-41 fusion inhibitors; δ-Carbolines / carbozoles; Trisubstituted pyrimidines as PI3K inhibitors; (Thienopyridine)carboxamides as CHK1 inhibitors; cis-FluorostilbenesReactant involved in Suzuki-Miyaura reactions. Used in a study of racemization in Suzuki cross-couplings of arylamino acids. |
Molecular Weight: | 160.97 |
Molecular Formula: | C8H8NO2B |
Canonical SMILES: | B(C1=CC2=C(C=C1)C=CN2)(O)O |
InChI: | InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H |
InChI Key: | ZVMHOIWRCCZGPZ-UHFFFAOYSA-N |
Boiling Point: | 433.2 ℃ at 760 mmHg |
Melting Point: | 177-181 ℃ |
Purity: | ≥ 95 % |
Density: | 1.33 g/cm3 |
Storage: | 2-8 ℃ |
MDL: | MFCD03095176 |
LogP: | -0.15230 |
GHS Hazard Statement: | H315 (97.04%): 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 |
CN-110563732-A | 7- (trimethoxyphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof | 20190904 |
KR-102215255-B1 | Novel compounds useful as fluorescent probes selectively binding to tau aggregates and preparation method thereof | 20190612 |
KR-20200142215-A | Novel compounds useful as fluorescent probes selectively binding to tau aggregates and preparation method thereof | 20190612 |
US-2020369656-A1 | Inhibitors of camkk2 and uses of same | 20190524 |
AU-2018309356-A1 | Dihydrooxadiazinones | 20170804 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.0648087 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.0648087 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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