2-(Ethoxycarbonyl)phenylboronic Acid Pinacol Ester - CAS 269409-99-6
Catalog: |
BB019414 |
Product Name: |
2-(Ethoxycarbonyl)phenylboronic Acid Pinacol Ester |
CAS: |
269409-99-6 |
Synonyms: |
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid ethyl ester; ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 2-(Ethoxycarbonyl)phenylboronic Acid Pinacol Ester (CAS# 269409-99-6) is a useful research chemical. |
Molecular Weight: | 276.14 |
Molecular Formula: | C15H21O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)OCC |
InChI: | InChI=1S/C15H21BO4/c1-6-18-13(17)11-9-7-8-10-12(11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3 |
InChI Key: | RFBZWPFBCXBBJS-UHFFFAOYSA-N |
Boiling Point: | 378 ℃ at 760 mmHg |
Melting Point: | 60-65 ℃ |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.07 g/cm3 |
MDL: | MFCD03453660 |
LogP: | 2.16250 |
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 |
Publication Number | Title | Priority Date |
WO-2021150383-A1 | Cosmeceutical composition | 20200123 |
WO-2020243027-A1 | Compounds, compositions, and methods of use | 20190524 |
AU-2017382888-A1 | Ectonucleotidase inhibitors and methods of use thereof | 20161222 |
BR-112019012327-A2 | ectonucleotidase inhibitors and methods of use thereof | 20161222 |
CA-3047988-A1 | Ectonucleotidase inhibitors and methods of use thereof | 20161222 |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.1532893 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.1532893 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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