4-Nitrotriphenylamine - CAS 4316-57-8

Catalog:	BB025344
Product Name:	4-Nitrotriphenylamine
CAS:	4316-57-8
Synonyms:	4-nitro-N,N-diphenylaniline; 4-nitro-N,N-diphenylaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-nitro-N,N-diphenylaniline
Description:	4-Nitrotriphenylamine (CAS# 4316-57-8) is a compound useful in organic synthesis.
Molecular Weight:	290.32
Molecular Formula:	C18H14N2O2
Canonical SMILES:	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI:	InChI=1S/C18H14N2O2/c21-20(22)18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChI Key:	UQOKZDUUBVGFAK-UHFFFAOYSA-N
Boiling Point:	452.6 °C at 760 mmHg
Density:	1.249 g/cm³
LogP:	5.58780

Publication Number	Title	Priority Date
CN-111732516-A	A kind ofNProcess for preparing (E) -aryl-substituted heterocyclic compounds	20200731
CN-111732516-B	A kind ofNProcess for preparing (E) -aryl-substituted heterocyclic compounds	20200731
KR-20210116078-A	Azobenzene-based Organic Dyes, Preparation Method Thereof, and Dye-sensitized Solar Cells Comprising the Same	20200317
CN-110950723-A	Flame bright type smokeless and sulfur-free firecracker nitrate medicament and preparation method thereof	20191210
CN-110835406-A	Novel free radical monomer containing diphenylamine structure and preparation method and application of polymer thereof	20191121

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Related Functional Groups

Nitrogen Compounds

[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Complexity:	331
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	290.105527694
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	290.105527694
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.6