CAS 1897-41-2 | 1,4-Benzenedicarbonitrile, 2,3,5,6-tetrachloro- | CAS Number 1897-41-2

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1897-41-2 | 1,4-Benzenedicarbonitrile, 2,3,5,6-tetrachloro-

CAS No: 1897-41-2 Catalog No: AG002DXC MDL No:MFCD00059583

Product Description

Catalog Number:

AG002DXC

Chemical Name:

1,4-Benzenedicarbonitrile, 2,3,5,6-tetrachloro-

CAS Number:

1897-41-2

Molecular Formula:

C8Cl4N2

Molecular Weight:

265.9110

MDL Number:

MFCD00059583

IUPAC Name:

2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile

InChI:

InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11

InChI Key:

TXRVDQMSXQKAPG-UHFFFAOYSA-N

SMILES:

N#Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)C#N

EC Number:

401-550-8

Properties

Complexity:

266

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.879g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.902g/mol

Monoisotopic Mass:

263.882g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Synthesis of perfluoro[2.2]paracyclophane.	The Journal of organic chemistry 20080321
Reliable enzyme immunoassay detection for chlorothalonil: fundamental evaluation for residue analysis and validation with gas chromatography.	Journal of chromatography. A 20061006
1:1 complexes of 2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile with pyrene and phenanthrene: pseudo-isomorphs.	Acta crystallographica. Section C, Crystal structure communications 20051101
Planar packing of tetrachlorodicyanobenzene isomers.	Acta crystallographica. Section B, Structural science 20020601