4-Pyridineboronic Acid Pinacol Ester
Product Information
Molecular Formula
C11H16NO2B
Molecular Weight
205.06
Description
4-Pyridineboronic Acid Pinacol Ester (CAS# 181219-01-2) is used in dermatological preparations containing antioxidants and boron compounds for preventing damages to skin caused by peroxides.
Synonyms
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NC=C2
InChI
InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5-8H,1-4H3
InChI Key
NLTIETZTDSJANS-UHFFFAOYSA-N
Boiling Point
300.9 °C at 760 mmHg
Melting Point
149-153 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.03 g/cm3
LogP
1.38080
Safety Information
Hazards
H315 - H319 - H335
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
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
205.1274089 g/mol
Monoisotopic Mass
205.1274089 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
221
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
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| CN-113512071-A | Near-infrared emission electric stimulation response type iridium (III) complex and preparation method and application thereof | 2021-07-19 |
| CN-113512051-A | Preparation method of borazen-aza-benzene shunt-thiophene viologen derivatives and application of borazen-aza-benzene shunt-thiophene viologen derivatives in electrochromic device | 2021-06-25 |
| CN-113121589-A | 1, 8-naphthalimide-based organic material, organic-inorganic hybrid nano material, preparation method and application | 2021-04-23 |
| CN-113121589-B | 1, 8-naphthalimide-based organic material, organic-inorganic hybrid nano material, preparation method and application | 2021-04-23 |
| CN-112266386-A | 2-chloroadenine derivative, preparation method and application | 2020-10-20 |
| CN-112375089-A | Photosensitizer with high singlet oxygen yield and preparation method thereof | 2020-10-20 |
| CN-112375089-B | Photosensitizer with high singlet oxygen yield and preparation method thereof | 2020-10-20 |
| WO-2022048631-A1 | Compound having antitumor activity and use thereof | 2020-09-04 |
