Home Nitriles 4-Chlorobenzonitrile

4-Chlorobenzonitrile

CAS No.:
623-03-0
Catalog Number:
AG003L6O
Molecular Formula:
C7H4ClN
Molecular Weight:
137.5664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$50
- +
500g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003L6O
Chemical Name:
4-Chlorobenzonitrile
CAS Number:
623-03-0
Molecular Formula:
C7H4ClN
Molecular Weight:
137.5664
MDL Number:
MFCD00001813
IUPAC Name:
4-chlorobenzonitrile
InChI:
InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChI Key:
GJNGXPDXRVXSEH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Cl
EC Number:
210-765-4
UNII:
4Z0HGP3A8A
NSC Number:
6111
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.003g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.566g/mol
Monoisotopic Mass:
137.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides. Journal of the American Chemical Society 20120411
2-(4-Chloro-phen-yl)acetamide. Acta crystallographica. Section E, Structure reports online 20111201
Congested ferrocenyl polyphosphanes bearing electron-donating or electron-withdrawing phosphanyl groups: assessment of metallocene conformation from NMR spin couplings and use in palladium-catalyzed chloroarenes activation. Inorganic chemistry 20111121
Heterologous expression, purification and characterization of nitrilase from Aspergillus niger K10. BMC biotechnology 20110101
5-(4-Chloro-phen-yl)-1H-tetra-zole. Acta crystallographica. Section E, Structure reports online 20100401
4-Chloro-benzothio-amide. Acta crystallographica. Section E, Structure reports online 20090501
Effects of ion-pairing and hydration on the SNAr reaction of the F- with p-chlorobenzonitrile in aprotic solvents. Physical chemistry chemical physics : PCCP 20080227
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1. Studies in mycology 20080101
Purification and characterization of a nitrilase from Aspergillus niger K10. Applied microbiology and biotechnology 20061201
The methoxycarbonylation of aryl chlorides catalysed by palladium complexes of bis(di-tert-butylphosphinomethyl)benzene. Dalton transactions (Cambridge, England : 2003) 20050521
On the dissociation of aromatic radical anions in solution. Chemphyschem : a European journal of chemical physics and physical chemistry 20030113
Properties