3-Iodophenylboronic Acid - CAS 221037-98-5
Catalog: |
BB017378 |
Product Name: |
3-Iodophenylboronic Acid |
CAS: |
221037-98-5 |
Synonyms: |
(3-iodophenyl)boronic acid; (3-iodophenyl)boronic acid |
IUPAC Name: | (3-iodophenyl)boronic acid |
Description: | Reactant involved in: Aerobic oxidative coupling with arenes; Coupling with acetals; Synthesis of inhibitors of homoserine transacetylase; Boron-Heck arylation with alkenes; N-arylation; Heck reactions with electrophilic alkenes. |
Molecular Weight: | 247.83 |
Molecular Formula: | C6H6IO2B |
Canonical SMILES: | B(C1=CC(=CC=C1)I)(O)O |
InChI: | InChI=1S/C6H6BIO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H |
InChI Key: | REEUXWXIMNEIIN-UHFFFAOYSA-N |
Boiling Point: | 358.8 °C at 760 mmHg |
Melting Point: | 195-197 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.95 g/cm3 |
MDL: | MFCD01319015 |
LogP: | -0.02900 |
GHS Hazard Statement: | H302 (100%): 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 |
US-2015065482-A1 | Alkynyl alcohols and methods of use | 20130822 |
US-2016096850-A9 | Alkynyl alcohols and methods of use | 20130822 |
US-2016200739-A1 | Alkynyl alcohols and methods of use | 20130822 |
WO-2015025025-A1 | Alkynyl alcohols and methods of use | 20130822 |
EP-2949655-A1 | Reaction catalyst for cross coupling and method for manufacturing aromatic compound | 20130123 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.95056 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.95056 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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