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Home Nitriles 4-tert-Butylphthalonitrile

4-tert-Butylphthalonitrile

CAS No.:
32703-80-3
Catalog Number:
AG00345G
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)(N)
1 week
United States
$242
- +
25g
>98.0%(GC)(N)
1 week
United States
$712
- +
Product Description
Catalog Number:
AG00345G
Chemical Name:
4-tert-Butylphthalonitrile
CAS Number:
32703-80-3
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
MDL Number:
MFCD00060112
IUPAC Name:
4-tert-butylbenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C12H12N2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,1-3H3
InChI Key:
LOTMIRVNJTVTSU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C#N)C(C)(C)C
EC Number:
251-166-8
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Distorted fused porphyrin-phthalocyanine conjugates: synthesis and photophysics of supramolecular assembled systems with a pyridylfullerene. Physical chemistry chemical physics : PCCP 20110707
Preparation and electrochemical and optical properties of unsymmetrically substituted phthalocyanines with one or two trithiole rings and related symmetric derivatives. Inorganic chemistry 20080505
Highly coupled dyads based on phthalocyanine-ruthenium(II) tris(bipyridine) complexes. Synthesis and photoinduced processes. The Journal of organic chemistry 20031031
Properties