Home Nitriles Phthalonitrile

Phthalonitrile

CAS No.:
91-15-6
Catalog Number:
AG003DE9
Molecular Formula:
C8H4N2
Molecular Weight:
128.1308
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$33
- +
100g
98%(GC)
In Stock USA
United States
$52
- +
250g
98%(GC)
In Stock USA
United States
$75
- +
Product Description
Catalog Number:
AG003DE9
Chemical Name:
Phthalonitrile
CAS Number:
91-15-6
Molecular Formula:
C8H4N2
Molecular Weight:
128.1308
MDL Number:
MFCD00001771
IUPAC Name:
benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H
InChI Key:
XQZYPMVTSDWCCE-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C#N
EC Number:
202-044-8
UNII:
978627YAJU
NSC Number:
17562
RTECS Number:
TI8575000
UN Number:
3276
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.037g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.134g/mol
Monoisotopic Mass:
128.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
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4-{2-Meth-oxy-6-[(4-methyl-phen-yl)imino-meth-yl]phen-oxy}phthalonitrile. Acta crystallographica. Section E, Structure reports online 20090501
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In situ monitoring of the synthesis of a pyranine-substituted phthalonitrile derivative via the steady-state fluorescence technique. The journal of physical chemistry. B 20070118
Unsymmetrical Ni(II)-imidoylamidine complexes derived from a novel oxime-mediated single-pot reaction of nitriles. Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
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Properties