2-(5-Tetrazolyl)phenylboronic Acid - CAS 155884-01-8
Catalog: |
BB011174 |
Product Name: |
2-(5-Tetrazolyl)phenylboronic Acid |
CAS: |
155884-01-8 |
Synonyms: |
[2-(2H-tetrazol-5-yl)phenyl]boronic acid; [2-(2H-tetrazol-5-yl)phenyl]boronic acid |
IUPAC Name: | [2-(2H-tetrazol-5-yl)phenyl]boronic acid |
Description: | 2-(Tetrazol-5-yl)phenylboronic acid can be used as a reactant to prepare: Biaryltetrazole derivatives via Suzuki-Miyaura cross-coupling with aryl and heteroaryl halides via formation of C-C bond; 2-Aminobenzoxazole derivatives containing biphenyl tetrazole as potent human chemR23 inhibitors; o-Phenylenediamine possessing tetrazolyl derivatives as potent inhibitors of indoleamine 2,3-dioxygenase. |
Molecular Weight: | 189.97 |
Molecular Formula: | C7H7N4O2B |
Canonical SMILES: | B(C1=CC=CC=C1C2=NNN=N2)(O)O |
InChI: | InChI=1S/C7H7BN4O2/c13-8(14)6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12) |
InChI Key: | GVRXWYFECKHTSJ-UHFFFAOYSA-N |
Boiling Point: | 507.1 °C at 760 mmHg |
Melting Point: | 148-152 °C |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.51 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD06796325 |
LogP: | -1.45350 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113150246-A | Fluorine-containing epoxy resin curing agent and preparation method thereof | 20210419 |
CN-111848601-A | Compound containing condensed ring, application thereof and pharmaceutical composition containing compound | 20190430 |
US-2020069695-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 20180829 |
WO-2020023355-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 20180723 |
WO-2020023356-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 20180723 |
Complexity: | 195 |
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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