5-Bromo-2-methoxyphenylboronic Acid - CAS 89694-45-1
Catalog: |
BB039569 |
Product Name: |
5-Bromo-2-methoxyphenylboronic Acid |
CAS: |
89694-45-1 |
Synonyms: |
(5-bromo-2-methoxyphenyl)boronic acid; (5-bromo-2-methoxyphenyl)boronic acid |
IUPAC Name: | (5-bromo-2-methoxyphenyl)boronic acid |
Description: | Reactant for: Tweezers-like aromatic molecules with luminescent properties; Suzuki-Miyaura cross-coupling reactions. |
Molecular Weight: | 230.85 |
Molecular Formula: | C7H8BrO3B |
Canonical SMILES: | B(C1=C(C=CC(=C1)Br)OC)(O)O |
InChI: | InChI=1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3 |
InChI Key: | FVRLSHRAYPFXRQ-UHFFFAOYSA-N |
Boiling Point: | 378.4 °C at 760 mmHg |
Melting Point: | 130-135 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.61 g/cm3 |
MDL: | MFCD00093409 |
LogP: | 0.13750 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.97499 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.97499 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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