Benzylboronic Acid Pinacol Ester - CAS 87100-28-5
Catalog: |
BB038252 |
Product Name: |
Benzylboronic Acid Pinacol Ester |
CAS: |
87100-28-5 |
Synonyms: |
4,4,5,5-tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane; 2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | Benzylboronic Acid Pinacol Ester (CAS# 87100-28-5) is a useful research chemical. |
Molecular Weight: | 218.10 |
Molecular Formula: | C13H19O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H19BO2/c1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3 |
InChI Key: | YCNQPAVKQPLZRS-UHFFFAOYSA-N |
Boiling Point: | 65 °C / 0.15 mmHg |
Flash Point: | Not applicable |
Purity: | 96 % |
Density: | 0.980 g/mL at 25 °C |
MDL: | MFCD05663841 |
LogP: | 2.08130 |
Refractive Index: | n20/D 1.490 |
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-113461393-A | Dry-mixed self-leveling mortar | 20210728 |
WO-2021174475-A1 | Organic compounds | 20200305 |
WO-2021175971-A1 | Heterocyclic derivatives as trmp8 antagonists | 20200305 |
WO-2021127743-A1 | Substituted hydroxystilbene compounds and derivatives synthesis and uses thereof | 20191223 |
CN-110790661-A | Method for converting benzyl borate compounds into phenylacetic acid and derivatives thereof by using carbon dioxide | 20191029 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.1478100 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.1478100 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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