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Home Nitriles 4-(1H-Pyrrol-1-yl)benzonitrile

4-(1H-Pyrrol-1-yl)benzonitrile

CAS No.:
23351-07-7
Catalog Number:
AG002MXG
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG002MXG
Chemical Name:
4-(1H-Pyrrol-1-yl)benzonitrile
CAS Number:
23351-07-7
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
MDL Number:
MFCD00085164
IUPAC Name:
4-pyrrol-1-ylbenzonitrile
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
SMILES:
N#Cc1ccc(cc1)n1cccc1
UNII:
379R1YD2SG
NSC Number:
116795
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
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 20050203
Ultrafast temporary charge transfer in pyrrolidinyl-benzonitrile and pyrrolyl-benzonitrile in the gas phase. Faraday discussions 20040101
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 20030301
Properties