4-(Pyridin-2-yl-aminocarbonyl)benzeneboronic acid - CAS 850568-25-1
Catalog: |
BB044013 |
Product Name: |
4-(Pyridin-2-yl-aminocarbonyl)benzeneboronic acid |
CAS: |
850568-25-1 |
Synonyms: |
4-(PYRIDIN-2-YL-AMINOCARBONYL)BENZENEBORONIC ACID; 4-(PYRIDIN-2-YL)AMINOCARBONYLPHENYLBORONIC ACID; N-2-PYRIDINYL 4-BORONOBENZAMIDE; 4-(Pyridin-2-yl-aminocarbonyl)benzeneboronic acid 97% |
IUPAC Name: | [4-(pyridin-2-ylcarbamoyl)phenyl]boronic acid |
Description: | 4-(Pyridin-2-yl-aminocarbonyl)benzeneboronic acid (CAS# 850568-25-1 ) is a useful research chemical. |
Molecular Weight: | 242.04 |
Molecular Formula: | C12H11BN2O3 |
Canonical SMILES: | B(C1=CC=C(C=C1)C(=O)NC2=CC=CC=N2)(O)O |
InChI: | InChI=1S/C12H11BN2O3/c16-12(15-11-3-1-2-8-14-11)9-4-6-10(7-5-9)13(17)18/h1-8,17-18H,(H,14,15,16) |
InChI Key: | LEAZDTWQWNXKJM-UHFFFAOYSA-N |
Melting Point: | 124-128 ℃ |
Purity: | 98 % |
Density: | 1.33 g/cm3 |
Storage: | Keep Cold |
GHS Hazard Statement: | H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H341 (50%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] |
Precautionary Statement: | P203, P261, P264, P264+P265, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0862724 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0862724 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 82.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Related Functional Groups
Boronic Acids and Esters
Pyridines
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