3-Chloro-4-fluorophenylboronic Acid - CAS 144432-85-9
Catalog: |
BB009775 |
Product Name: |
3-Chloro-4-fluorophenylboronic Acid |
CAS: |
144432-85-9 |
Synonyms: |
(3-chloro-4-fluorophenyl)boronic acid; (3-chloro-4-fluorophenyl)boronic acid |
IUPAC Name: | (3-chloro-4-fluorophenyl)boronic acid |
Description: | Reactant for: Rh-catalyzed asymmetric addition reactions; Palladium-catalyzed oxidative cross-coupling reaction; Suzuki-Miyaura coupling. |
Molecular Weight: | 174.37 |
Molecular Formula: | C6H5ClFO2B |
Canonical SMILES: | B(C1=CC(=C(C=C1)F)Cl)(O)O |
InChI: | InChI=1S/C6H5BClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H |
InChI Key: | WJDZZXIDQYKVDG-UHFFFAOYSA-N |
Boiling Point: | 306 °C at 760 mmHg |
Melting Point: | 242-247 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.41 g/cm3 |
MDL: | MFCD00051800 |
LogP: | 0.15890 |
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 |
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Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0055154 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0055154 |
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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