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Home Nitriles 4-(Chloromethyl)benzonitrile

4-(Chloromethyl)benzonitrile

CAS No.:
874-86-2
Catalog Number:
AG003K6X
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$150
- +
500g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG003K6X
Chemical Name:
4-(Chloromethyl)benzonitrile
CAS Number:
874-86-2
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD00015443
IUPAC Name:
4-(chloromethyl)benzonitrile
InChI:
InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChI Key:
LOQLDQJTSMKBJU-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)C#N
EC Number:
212-869-5
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.019g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.593g/mol
Monoisotopic Mass:
151.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
2-(4-Chloro-phen-yl)acetamide. Acta crystallographica. Section E, Structure reports online 20111201
Stabilities of ion/radical adducts in the liquid phase as derived from the dependence of electrochemical cleavage reactivities upon solvent. Journal of the American Chemical Society 20011205
Stepwise and concerted pathways in photoinduced and thermal electron-transfer/bond-breaking reactions. experimental illustration of similarities and contrasts. Journal of the American Chemical Society 20010530
Properties