4-(1-Pyrrolyl)benzonitrile - CAS 23351-07-7

Catalog:	BB018014
Product Name:	4-(1-Pyrrolyl)benzonitrile
CAS:	23351-07-7
Synonyms:	4-(1-pyrrolyl)benzonitrile; 4-pyrrol-1-ylbenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	4-pyrrol-1-ylbenzonitrile
Description:	4-(1-Pyrrolyl)benzonitrile (CAS# 23351-07-7) is a useful research chemical.
Molecular Weight:	168.19
Molecular Formula:	C11H8N2
Canonical SMILES:	C1=CN(C=C1)C2=CC=C(C=C2)C#N
InChI:	InChI=1S/C11H8N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H
InChI Key:	OKVSZRKKRHNDOL-UHFFFAOYSA-N
Boiling Point:	312.8 °C at 760 mmHg
Density:	1.05 g/cm³
MDL:	MFCD00085164
LogP:	2.34898

Publication Number	Title	Priority Date
US-10577327-B2	Pyridine based ionic fluoride for catalyzing indole and tetrazole formation	20180611
US-2019375711-A1	Pyridine based ionic fluoride for catalyzing indole and tetrazole formation	20180611
JP-2016056254-A	Polishing composition	20140908
TW-201610046-A	Grinding composition	20140908
US-2018215952-A1	Polishing composition	20140908

PMID	Publication Date	Title	Journal
16833382	20050203	Charge-transfer-type fluorescence of 4-(1H-pyrrol-1-yl)benzonitrile (PBN) and N-phenylpyrrole (PP) in cryogenic matrixes: evidence for direct excitation of the CT band	The journal of physical chemistry. A
15471337	20040101	Ultrafast temporary charge transfer in pyrrolidinyl-benzonitrile and pyrrolyl-benzonitrile in the gas phase	Faraday discussions
12713236	20030301	Singlet excited state dipole moments of dual fluorescent N-phenylpyrroles and 4-(dimethylamino)benzonitrile from solvatochromic and thermochromic spectral shifts	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology

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Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.068748264
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.068748264
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8