Triphenylamine - CAS 603-34-9

Name: Triphenylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	N,N-diphenylaniline
Description:	Triphenylamine (CAS# 603-34-9) is a useful research chemical.
Molecular Weight:	245.32
Molecular Formula:	C18H15N
Canonical SMILES:	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI:	InChI=1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChI Key:	ODHXBMXNKOYIBV-UHFFFAOYSA-N
Boiling Point:	347-348 °C
Melting Point:	125-127 °C
Flash Point:	180 °C
Purity:	95 %
Density:	1.112 g/cm³
Solubility:	less than 1 mg/mL at 68 °F
Appearance:	Crystals or off-white lumpy solid.
Storage:	Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Decomposition:	When heated to decomposition it emits toxic fumes of /nitrogen oxides
MDL:	MFCD00003020
LogP:	5.15640
Vapor Pressure:	0.000392 [mmHg]

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2021104678-A1	Organic compound, electroluminescent material, and use thereof	20200922
US-2021017196-A1	Compound, display panel and display apparatus	20200806
US-2021024511-A1	Compound, display panel and display apparatus	20200731
US-2021189233-A1	Method for producing quantum dot composition and method for manufacturing light emitting element including the same	20191220
WO-2021125132-A1	Carbamoyl oxime compound, and polymerization initiator and polymerizable composition containing said compound	20191220

PMID	Publication Date	Title	Journal
22958979	20121201	Synthesis and properties of new luminescent hole transporting materials containing triphenylamine and carbazole units	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
23019568	20121111	A structural study of DPP-based sensitizers for DSC applications	Chemical communications (Cambridge, England)
23011190	20121107	D-π-A-π-D type benzothiadiazole-triphenylamine based small molecules containing cyano on the π-bridge for solution-processed organic solar cells with high open-circuit voltage	Chemical communications (Cambridge, England)
23095035	20121102	Unsymmetrical squaraines incorporating quinoline for near infrared responsive dye-sensitized solar cells	Organic letters
22718326	20121101	Quantum chemical study in the direction to design efficient donor-bridge-acceptor triphenylamine sensitizers with improved electron injection	Journal of molecular modeling

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.120449483
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.120449483
Rotatable Bond Count:	3
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.7