Home Nitriles 2,4-Dimethylbenzonitrile

2,4-Dimethylbenzonitrile

CAS No.:
21789-36-6
Catalog Number:
AG00BC31
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$91
- +
5g
>98.0%(GC)
1 week
United States
$145
- +
25g
>98.0%(GC)
1 week
United States
$398
- +
Product Description
Catalog Number:
AG00BC31
Chemical Name:
2,4-Dimethylbenzonitrile
CAS Number:
21789-36-6
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00016377
IUPAC Name:
2,4-dimethylbenzonitrile
InChI:
InChI=1S/C9H9N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,1-2H3
InChI Key:
QLZDTHTXOUOSCV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C)C
EC Number:
244-580-5
UNII:
Y98DL78H3C
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/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  
Properties