Cyclohexylboronic acid - CAS 4441-56-9
Catalog: |
BB043212 |
Product Name: |
Cyclohexylboronic acid |
CAS: |
4441-56-9 |
Synonyms: |
Boronic acid, cyclohexyl- |
IUPAC Name: | cyclohexylboronic acid |
Description: | Reactant involved in: HF-free synthesis of tetrabutylammonium trifluoroborates; Cross-coupling with aromatic amines; Suzuki cross-coupling reactions; Arylation and alkylation of diphenylisoxazole. |
Molecular Weight: | 127.97 |
Molecular Formula: | C6H13BO2 |
Canonical SMILES: | B(C1CCCCC1)(O)O |
InChI: | InChI=1S/C6H13BO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2 |
InChI Key: | XDRVAZAFNWDVOE-UHFFFAOYAS |
Flash Point: | Not applicable |
Purity: | 97+ % |
MDL: | MFCD01311824 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 79.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.1008598 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.1008598 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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