2-(4-Ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 1075719-87-7
Catalog: |
BB073002 |
Product Name: |
2-(4-Ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
CAS: |
1075719-87-7 |
Synonyms: |
2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-Ethylphenylboronic acid pinacol ester; (4-Ethylphenyl)boronic acid pinacol ester |
IUPAC Name: | 2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Molecular Weight: | 232.13 |
Molecular Formula: | C14H21BO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC |
InChI: | InChI=1S/C14H21BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h7-10H,6H2,1-5H3 |
InChI Key: | RWANCHDMVNWYHW-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.1634601 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.1634601 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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