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Home Halogens Tetrachlorophthalonitrile

Tetrachlorophthalonitrile

CAS No.:
1953-99-7
Catalog Number:
AG00I3DI
Molecular Formula:
C8Cl4N2
Molecular Weight:
265.9110
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$38
- +
25g
97%
In Stock USA
United States
$138
- +
100g
97%
In Stock USA
United States
$425
- +
Product Description
Catalog Number:
AG00I3DI
Chemical Name:
Tetrachlorophthalonitrile
CAS Number:
1953-99-7
Molecular Formula:
C8Cl4N2
Molecular Weight:
265.9110
MDL Number:
MFCD00019740
IUPAC Name:
3,4,5,6-tetrachlorobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8Cl4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11
InChI Key:
OQHXZZGZASQSOB-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)c(Cl)c(c(c1Cl)Cl)Cl
EC Number:
217-783-1
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.879g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.902g/mol
Monoisotopic Mass:
263.882g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Reliable enzyme immunoassay detection for chlorothalonil: fundamental evaluation for residue analysis and validation with gas chromatography. Journal of chromatography. A 20061006
Planar packing of tetrachlorodicyanobenzene isomers. Acta crystallographica. Section B, Structural science 20020601
Properties