4-(2H-Tetrazol-5-yl)phenylboronic Acid - CAS 179942-55-3
Catalog: |
BB013619 |
Product Name: |
4-(2H-Tetrazol-5-yl)phenylboronic Acid |
CAS: |
179942-55-3 |
Synonyms: |
[4-(2H-tetrazol-5-yl)phenyl]boronic acid; [4-(2H-tetrazol-5-yl)phenyl]boronic acid |
IUPAC Name: | [4-(2H-tetrazol-5-yl)phenyl]boronic acid |
Description: | Product is used as a reactant for palladium-catalyzed carbon-carbon bond formation (Suzuki-Miyuara reaction). |
Molecular Weight: | 189.97 |
Molecular Formula: | C7H7N4O2B |
Canonical SMILES: | B(C1=CC=C(C=C1)C2=NNN=N2)(O)O |
InChI: | InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12) |
InChI Key: | DXUPJOQUAAVAGV-UHFFFAOYSA-N |
Boiling Point: | 480.3 °C at 760 mmHg |
Melting Point: | 174-179 °C (Decomposition) |
Flash Point: | Not applicable |
Density: | 1.51 g/cm3 |
Appearance: | Solid |
Storage: | 2-8 °C |
MDL: | MFCD06739099 |
LogP: | -1.45350 |
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-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
US-2021261545-A1 | Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 20180621 |
US-2019300569-A1 | Peptide macrocycles against acinetobacter baumannii | 20180328 |
WO-2019185572-A1 | Peptide macrocycles against acinetobacter baumannii | 20180328 |
CN-111886019-A | Peptide macrocycles against acinetobacter baumannii | 20180328 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.0662056 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.0662056 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 94.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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