3-Carboxy-5-nitrophenylboronic Acid - CAS 101084-81-5
Catalog: |
BB000435 |
Product Name: |
3-Carboxy-5-nitrophenylboronic Acid |
CAS: |
101084-81-5 |
Synonyms: |
3-borono-5-nitrobenzoic acid; 3-borono-5-nitrobenzoic acid |
IUPAC Name: | 3-borono-5-nitrobenzoic acid |
Description: | 3-Carboxy-5-nitrophenylboronic acid can be used as a reactant to prepare: Biaryl derivatives via Suzuki-Miyaura cross-coupling with aryl and heteroaryl halides via the formation of a C-C bond ; 3-Chloro-5-nitrobenzoic acid via copper-catalyzed chlorination reaction; Aryl-clonazepam derivatives by palladium-catalyzed Suzuki Cross-coupling reaction with clonazepam in the presence of Pd as a catalyst. Reactant for: Copper-catalyzed chlorination ; Parallel solid-phase synthesis of azabicyclooctylidenemethylbenzamides as μ- and d-opioid agonists. Used for: Immobilization of glucose oxidase and acetylcholinesterase on boronic acid-activated silica surfaces. |
Molecular Weight: | 210.94 |
Molecular Formula: | C7H6NO6B |
Canonical SMILES: | B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O |
InChI: | InChI=1S/C7H6BNO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,12-13H,(H,10,11) |
InChI Key: | WNIFCLWDGNHGMX-UHFFFAOYSA-N |
Boiling Point: | 502.6 °C at 760 mmHg |
Melting Point: | 248-252 °C |
Flash Point: | Not applicable |
Density: | 1.62 g/cm3 |
MDL: | MFCD00757433 |
LogP: | -0.50400 |
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 |
CN-112679535-A | Small molecule PAD4 inhibitor and preparation method and application thereof | 20210106 |
WO-2021202802-A1 | Conjugates for selective responsiveness to vicinal diols | 20200331 |
CN-111171721-A | Ceramizable ablation-resistant coating and preparation method thereof | 20200122 |
CN-111171721-B | Ceramizable ablation-resistant coating and preparation method thereof | 20200122 |
CN-111146496-A | Polymer electrolyte and lithium ion battery containing same | 20191223 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.0288171 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0288171 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 124 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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