4-(Diphenylamino)phenylboronic Acid - CAS 201802-67-7

Name: 4-(Diphenylamino)phenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015691
Product Name:	4-(Diphenylamino)phenylboronic Acid
CAS:	201802-67-7
Synonyms:	[4-(N-phenylanilino)phenyl]boronic acid; [4-(N-phenylanilino)phenyl]boronic acid

Technical Data

IUPAC Name:	[4-(N-phenylanilino)phenyl]boronic acid
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.
Molecular Weight:	289.14
Molecular Formula:	C18H16NO2B
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
MDL:	MFCD06798117
LogP:	2.83620

GHS Hazard Statement:	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]
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

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PMID	Publication Date	Title	Journal
22865724	20120910	Synthesis of perylene dyes with multiple triphenylamine substituents	Chemistry (Weinheim an der Bergstrasse, Germany)
21510413	20110201	[Synthesis and spectral properties of a novel fluorinated triphenylamine derivative]	Guang pu xue yu guang pu fen xi = Guang pu

Complexity:	301
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	289.1274089
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	289.1274089
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0