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Home Halogens 2,4-Dichlorobenzonitrile

2,4-Dichlorobenzonitrile

CAS No.:
6574-98-7
Catalog Number:
AG003FR4
Molecular Formula:
C7H3Cl2N
Molecular Weight:
172.0114
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$28
- +
100g
96%
In Stock USA
United States
$74
- +
Product Description
Catalog Number:
AG003FR4
Chemical Name:
2,4-Dichlorobenzonitrile
CAS Number:
6574-98-7
Molecular Formula:
C7H3Cl2N
Molecular Weight:
172.0114
MDL Number:
MFCD00016373
IUPAC Name:
2,4-dichlorobenzonitrile
InChI:
InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChI Key:
GRUHREVRSOOQJG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1Cl)Cl
EC Number:
229-493-2
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.964g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.008g/mol
Monoisotopic Mass:
170.964g/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
Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane. The Journal of organic chemistry 20090306
Laser Raman and IR spectra and force fields for 2,4-dichlorobenzonitrile. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20010201
Properties