4-Isopropylphenylboronic Acid

Product Information

Molecular Formula:
C9H13O2B
Molecular Weight:
164.01
Description
4-Isopropylphenylboronic Acid (CAS# 16152-51-5) is used as a reactant for the preparation of furan-2-carbohydrazides as orally active glucagon receptor antagonists.
Synonyms
(4-propan-2-ylphenyl)boronic acid; (4-propan-2-ylphenyl)boronic acid
IUPAC Name
(4-propan-2-ylphenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C(C)C)(O)O
InChI
InChI=1S/C9H13BO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7,11-12H,1-2H3
InChI Key
IAEUFBDMVKQCLU-UHFFFAOYSA-N
Boiling Point
285.9 °C at 760 mmHg
Flash Point
Not applicable
Density
1.04 g/cm3
LogP
0.48980

Safety Information

Hazards
H302 - H317
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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
164.1008598 g/mol
Monoisotopic Mass
164.1008598 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
129
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-112480160-A Second-order silane derivative, chiral third-order silane derivative, preparation method of chiral fourth-order silane derivative and chiral product of chiral fourth-order silane derivative 2020-10-20
CN-112480160-B Second-order silane derivative, chiral third-order silane derivative, preparation method of chiral fourth-order silane derivative and chiral product of chiral fourth-order silane derivative 2020-10-20
WO-2022038116-A1 N-hydroxycarboxamide derivatives useful as inhibitors of mammalian histone deacetylase activity 2020-08-19
CN-111875618-A Compound with multi-heterocyclic structure and application thereof 2020-07-31
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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