sec-Butylboronic Acid - CAS 88496-88-2
Catalog: |
BB038890 |
Product Name: |
sec-Butylboronic Acid |
CAS: |
88496-88-2 |
Synonyms: |
butan-2-ylboronic acid; butan-2-ylboronic acid |
IUPAC Name: | butan-2-ylboronic acid |
Description: | Reactant for: Preparation of alkyl- and aryl quinones via silver nitrate-catalyzed coupling with quinones; Preparation of arenes by coupling reactions with aryl bromides and chlorides in the presence of palladium complexes of a (pentaphenylferrocenyl)di(tert-butyl)phosphine. |
Molecular Weight: | 101.94 |
Molecular Formula: | C4H11O2B |
Canonical SMILES: | B(C(C)CC)(O)O |
InChI: | InChI=1S/C4H11BO2/c1-3-4(2)5(6)7/h4,6-7H,3H2,1-2H3 |
InChI Key: | MACOIFNUPFKZEI-UHFFFAOYSA-N |
Boiling Point: | 180 °C at 760 mmHg |
Melting Point: | 85-89 °C |
Purity: | ≥ 95 % |
Density: | 0.91 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD06656265 |
LogP: | 0.25930 |
GHS Hazard Statement: | H302 (50%): 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 |
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Complexity: | 47 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.0852098 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.0852098 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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