4-(Diphenylamino)phenylboronic Acid

Product Information

Molecular Formula:
C18H16NO2B
Molecular Weight:
289.14
Description
Reagent used for: Strong multiphoton-excited blue photoluminescence and lasing from ladder-type oligo(p-phenylene)s ; Suzuki coupling reactions ; Ligand-free Suzuki reaction.Reagent used in Preparation of : Push-pull arylvinyldiazine chromophores; Benzothiadiazole-based fluorophores contg. triphenylamine functionality; Blue light-emitting and hole-transporting materials for electroluminescent devices; p-quaterphenyls laterally substituted with dimesitylboryl group for use as solid-state blue emitters ; Efficient sensitizers for dye-sensitized solar cells ; Prange electroluminescent materials for single-layer white polymer OLEDs ; Eeep-blue organic light emitting devices (OLEDs) ; Ligands for Organic Photovoltaic cells.
Synonyms
[4-(N-phenylanilino)phenyl]boronic acid; [4-(N-phenylanilino)phenyl]boronic acid
IUPAC Name
[4-(N-phenylanilino)phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3)(O)O
InChI
InChI=1S/C18H16BNO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H
InChI Key
TWWQCBRELPOMER-UHFFFAOYSA-N
Boiling Point
484.5 ± 47.0 °C (predicted)
Melting Point
110-115 °C (lit.)
Flash Point
Not applicable
Purity
99 %
Density
1.24 ± 0.1 g/mL (predicted)
Appearance
White powder
LogP
2.83620

Safety Information

Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
289.1274089 g/mol
Monoisotopic Mass
289.1274089 g/mol
Topological Polar Surface Area
43.7Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
301
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

Publication Number Title Priority Date
CN-113979950-A Preparation and performance research of aggregation-induced emission molecule based on phthalazine 2021-10-25
CN-113979969-A Organic hole transport material, preparation method and application thereof, and perovskite solar cell 2021-10-09
CN-113845519-A Microenvironment sensitive type fluorescent probe and preparation method and application thereof 2021-09-18
CN-113582908-A Near-ultraviolet organic electroluminescent material based on benzene cyano, preparation method thereof and application thereof in preparing OLED 2021-09-08
CN-113754699-A Iridium complex aggregate drug for radiology kinetics and preparation method thereof 2021-09-08
CN-113512010-A Photosensitizer with AIE characteristic and capable of overcoming hypoxia, and preparation method and application thereof 2021-07-20
CN-113264917-A Anti-hepatitis B virus compound and preparation method and application thereof 2021-05-28
CN-113321659-A Organic electroluminescent material and device thereof 2021-05-27
CN-113248502-A Near-infrared two-region dye based on naphthalene diimide derivative and preparation and application thereof 2021-05-25
CN-113135949-A Novel tetraphenyl ethylene borate derivative hypochlorite fluorescent probe 2021-04-21

Literatures

PMID Publication Date Title Journal
22865724 2012-09-10 Synthesis of perylene dyes with multiple triphenylamine substituents Chemistry (Weinheim an der Bergstrasse, Germany)
21510413 2011-02-01 [Synthesis and spectral properties of a novel fluorinated triphenylamine derivative] Guang pu xue yu guang pu fen xi = Guang pu
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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