4-Ethoxycarbonylphenylboronic acid - CAS 4334-88-7
Catalog: |
BB025392 |
Product Name: |
4-Ethoxycarbonylphenylboronic acid |
CAS: |
4334-88-7 |
Synonyms: |
4-Borono-benzoic Acid 1-Ethyl Ester; p-Borono-benzoic Acid 1-Ethyl Ester; 4-Carboethoxybenzeneboronic Acid; Ethyl 4-Boronobenzoate; MFCD02179441; p-ethoxycarbonylphenylboronic acid; Benzoic acid, 4-borono-, 1-ethyl ester; SCHEMBL5122; KSC489M1F; (4-Ethoxycarbonylphenyl)Boronic Acid; (4-(ethoxycarbonyl)phenyl)boronic acid |
IUPAC Name: | (4-ethoxycarbonylphenyl)boronic acid |
Description: | 4-Ethoxycarbonylphenylboronic acid is used as a reactant in the oxidation of phenol hydroxylation reaction, hydrolysis are aromatic, suzuki - with quinoline carboxylic acid ester coupling reaction, etc. |
Molecular Weight: | 193.99 |
Molecular Formula: | C9H11BO4 |
Canonical SMILES: | B(C1=CC=C(C=C1)C(=O)OCC)(O)O |
InChI: | InChI=1S/C9H11BO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6,12-13H,2H2,1H3 |
InChI Key: | ZLNFACCFYUFTLD-UHFFFAOYSA-N |
Boiling Point: | 355.5±44.0 °C (Predicted) |
Melting Point: | 184-189 °C |
Flash Point: | Not applicable |
Purity: | > 98 % (HPLC) |
Density: | 1.210±0.10 g/cm3 (Predicted) |
Appearance: | White to gray powder |
Storage: | 2-8 °C |
MDL: | MFCD02179441 |
LogP: | -0.45690 |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0750390 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0750390 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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