3,5-Dichlorophenylboronic Acid - CAS 67492-50-6
Catalog: |
BB033295 |
Product Name: |
3,5-Dichlorophenylboronic Acid |
CAS: |
67492-50-6 |
Synonyms: |
(3,5-dichlorophenyl)boronic acid; (3,5-dichlorophenyl)boronic acid |
IUPAC Name: | (3,5-dichlorophenyl)boronic acid |
Description: | Reactant involved in: Suzuki-Miyaura cross-coupling; Trifluoromethylation; Intramolecular aromatic carbenoid insertion of biaryldiazoacetates; Cyanation for the synthesis of aromatic nitriles; Lithiation of dihalophenyl dioxazaborocines for synthesis of functionalized dihalophenyl boronic acid. |
Molecular Weight: | 190.82 |
Molecular Formula: | C6H5Cl2O2B |
Canonical SMILES: | B(C1=CC(=CC(=C1)Cl)Cl)(O)O |
InChI: | InChI=1S/C6H5BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H |
InChI Key: | DKYRKAIKWFHQHM-UHFFFAOYSA-N |
Boiling Point: | 351.7 °C at 760 mmHg |
Flash Point: | Not applicable |
Purity: | 98 % |
Density: | 1.47 g/cm3 |
MDL: | MFCD00051935 |
LogP: | 0.67320 |
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 |
CN-113511970-A | Synthetic method of aryl-substituted alkyne | 20210610 |
CN-112939728-A | Preparation method of frainer intermediate 1, 3-dichloro-alpha- (trifluoromethyl) styrene | 20210203 |
CN-112011052-A | Functional boron-containing polyarylene sulfide copolymer and preparation method thereof | 20200911 |
CN-111620882-A | Novel compound for organic electroluminescent device and application | 20200612 |
CN-111620882-B | Novel compound for organic electroluminescent device and application | 20200612 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.9759650 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.9759650 |
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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