2-(Methoxycarbonyl)benzeneboronic Acid - CAS 374538-03-1
Catalog: |
BB023289 |
Product Name: |
2-(Methoxycarbonyl)benzeneboronic Acid |
CAS: |
374538-03-1 |
Synonyms: |
(2-methoxycarbonylphenyl)boronic acid; (2-methoxycarbonylphenyl)boronic acid |
IUPAC Name: | (2-methoxycarbonylphenyl)boronic acid |
Description: | 2-(Methoxycarbonyl)benzeneboronic Acid (CAS# 374538-03-1) is a useful research chemical. |
Molecular Weight: | 179.97 |
Molecular Formula: | C8H9O4B |
Canonical SMILES: | B(C1=CC=CC=C1C(=O)OC)(O)O |
InChI: | InChI=1S/C8H9BO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5,11-12H,1H3 |
InChI Key: | ODAXNYMENLFYMY-UHFFFAOYSA-N |
Boiling Point: | 359 ℃ at 760 mmHg |
Melting Point: | 102-107 ℃ |
Flash Point: | Not applicable |
Purity: | ≥ 95.0 % |
Density: | 1.25 g/cm3 |
MDL: | MFCD02179452 |
LogP: | -0.84700 |
GHS Hazard Statement: | H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113336735-A | Urolithin compound, preparation method, pharmaceutical composition and application | 20210608 |
CN-113321659-A | Organic electroluminescent material and device thereof | 20210527 |
CN-113121584-A | Heterocyclic compound and organic electroluminescent device comprising same | 20210330 |
CN-112094168-A | Deuterated fluorene compound and light-emitting device thereof | 20200929 |
CN-112094170-A | Fluorene compound and light emitting device thereof | 20200929 |
PMID | Publication Date | Title | Journal |
17867697 | 20071011 | Palladium(II)-catalyzed annulation of alkynes with ortho-ester-containing phenylboronic acids | Organic letters |
16679610 | 20060501 | 2-(Methoxycarbonyl)phenylboronic acid | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0593889 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0593889 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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