Home Nitriles Benzene-1,2,4,5-tetracarbonitrile

Benzene-1,2,4,5-tetracarbonitrile

CAS No.:
712-74-3
Catalog Number:
AG003O0Q
Molecular Formula:
C10H2N4
Molecular Weight:
178.1497
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(HPLC)(N)
1 week
United States
$127
- +
5g
>98.0%(HPLC)(N)
1 week
United States
$330
- +
Product Description
Catalog Number:
AG003O0Q
Chemical Name:
Benzene-1,2,4,5-tetracarbonitrile
CAS Number:
712-74-3
Molecular Formula:
C10H2N4
Molecular Weight:
178.1497
MDL Number:
MFCD00043481
IUPAC Name:
benzene-1,2,4,5-tetracarbonitrile
InChI:
InChI=1S/C10H2N4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H
InChI Key:
FAAXSAZENACQBT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)c(cc1C#N)C#N
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.154g/mol
Monoisotopic Mass:
178.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Nanoindentation as a probe for mechanically-induced molecular migration in layered organic donor-acceptor complexes. Chemistry, an Asian journal 20120901
The effects of photochemical and mechanical damage on the excited state dynamics of charge-transfer molecular crystals composed of tetracyanobenzene and aromatic donor molecules. The journal of physical chemistry. A 20110310
Dynamic molecular tweezers composed of dibenzocyclooctatetraene units: synthesis, properties, and thermochromism in host-guest complexes. Chemistry (Weinheim an der Bergstrasse, Germany) 20090713
Gemini-like molecular clips and tweezers: the influence of structure and guest binding on interfacial tension. Langmuir : the ACS journal of surfaces and colloids 20090602
2,5-Dimethyl-2,4-hexadiene induced photodechlorination of 9,10-dichloroanthracene. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20090601
High resolution infrared spectroscopy of the asymmetric C-H stretch of 1,2,4,5-tetracyanobenzene (TCNB) and (TCNB)(2) in superfluid helium nanodroplets. The Journal of chemical physics 20081107
Molecular structure and benzene ring deformation of three cyanobenzenes from gas-phase electron diffraction and quantum chemical calculations. The journal of physical chemistry. A 20081030
The structure, methyl rotation reflected in inelastic and quasielastic neutron scattering and vibrational spectra of 1,2,3,5-tetramethoxybenzene and its 2:1 complex with 1,2,4,5-tetracyanobenzene. The Journal of chemical physics 20081021
Langmuir and Langmuir-Blodgett monolayers of molecular tweezers and clips. Langmuir : the ACS journal of surfaces and colloids 20071106
Structure of molecular tweezer complexes in the solid state: NMR experiments, X-ray investigations, and quantum chemical calculations. Journal of the American Chemical Society 20070207
Actinide-mediated cyclization of 1,2,4,5-tetracyanobenzene: synthesis and characterization of self-assembled trinuclear thorium and uranium macrocycles. Angewandte Chemie (International ed. in English) 20060320
Dynamics in host-guest complexes of molecular tweezers and clips. Chemistry (Weinheim an der Bergstrasse, Germany) 20060208
Synthesis and photophysical properties of annulated dinuclear and trinuclear phthalocyanines. Chemistry (Weinheim an der Bergstrasse, Germany) 20060201
Functionalized nanodiamonds part I. An experimental assessment of diamantane and computational predictions for higher diamondoids. Chemistry (Weinheim an der Bergstrasse, Germany) 20051118
Analysis of charge-transfer absorption and emission spectra on an absolute scale: evaluation of free energies, matrix elements, and reorganization energies. The journal of physical chemistry. A 20050929
Synthesis and supramolecular properties of molecular clips with anthracene sidewalls. Chemistry (Weinheim an der Bergstrasse, Germany) 20050520
Influence of localized excited states on the transition moment directions of charge transfer complex absorptions. The journal of physical chemistry. A 20050317
Photo-oxidation of di-n-butylsulfide by various electron transfer sensitizers in oxygenated acetonitrile. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20050201
Visual observation of contact-induced intercrystalline migration of aromatic species adsorbed in zeolites by fluorescence microscopy. Chemphyschem : a European journal of chemical physics and physical chemistry 20041018
The nature of the rapid relaxation of excited charge-transfer complexes. Journal of the American Chemical Society 20040901
Studies on TMPD:TCNB; a donor-acceptor with room temperature paramagnetism and n-pi interaction. Molecules (Basel, Switzerland) 20040831
Proof of innocence for the quintessential noninnocent ligand TCNQ in its tetranuclear complex with four [fac-Re(CO)3(bpy)]+ groups: unusually different reactivity of the TCNX ligands (TCNX = TCNE, TCNQ, TCNB). Inorganic chemistry 20031103
The rearrangement of the cubane radical cation in solution. Chemistry (Weinheim an der Bergstrasse, Germany) 20010702
Properties