Name: Name:1,3-Dicyanobenzene
Brand: AABLOCKS
SKU: AA003DGQ
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003DGQ

Chemical Name: 1,3-Dicyanobenzene

CAS Number: 626-17-5

Molecular Formula: C8H4N2

Molecular Weight: 128.1308

MDL Number: MFCD00001795

SMILES: N#Cc1cccc(c1)C#N

NSC Number: 87880

Properties

BP: 239°C at 760 mmHg

Form: Solid

MP: 163-165 °C(lit.);

Refractive Index: 1.6231 (estimate)

Solubility: 0.7g/l

Storage: Keep in dry area;Room Temperature;

Complexity: 180

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 10

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.8

Literature fold

Title: Unique piezochromic fluorescence behavior of dicyanodistyrylbenzene based donor-acceptor-donor triad: mechanically controlled photo-induced electron transfer (eT) in molecular assemblies.

Journal: Advanced materials (Deerfield Beach, Fla.)20121023

Title: Photostimulated reduction of nitriles by SmI2.

Journal: The Journal of organic chemistry20120420

Title: Solid-state density functional theory investigation of the terahertz spectra of the structural isomers 1,2-dicyanobenzene and 1,3-dicyanobenzene.

Journal: The journal of physical chemistry. A20101202

Title: [One case of isophthalonitrile mixture burning combined with peripheral nerve injury].

Journal: Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases20100501

Title: Solvent-free, microwave assisted synthesis of polyhalo heterocyclic ketene aminals as novel anti-cancer agents.

Journal: Bioorganic & medicinal chemistry letters20100101

Title: Synergy effects of electric and magnetic fields on locally excited-state fluorescence of photoinduced electron transfer systems in a polymer film.

Journal: The journal of physical chemistry. A20091008

Title: Stereoselective desymmetrisation of prochiral alpha,alpha-dicyanoalkenes via domino Michael-Michael addition reactions.

Journal: Organic & biomolecular chemistry20080807

Title: High-resolution waveguide terahertz spectroscopy of partially oriented organic polycrystalline films.

Journal: The journal of physical chemistry. A20071101

Title: Semi-quantitative immunohistochemical analysis of male rat-specific alpha2u-globulin accumulation for chemical toxicity evaluation.

Journal: The Journal of toxicological sciences20060201

Title: Steric effect on fluorescence quenching.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20050701

Title: Low-field optically detected EPR spectroscopy of transient photoinduced radical pairs.

Journal: The journal of physical chemistry. A20050616

Title: Scale-down studies on the hydrodynamics of two-liquid phase biocatalytic reactors.

Journal: Bioprocess and biosystems engineering20020901

Title: A one-pot access to 6-substituted phenanthridines from fluoroarenes and nitriles via 1,2-arynes.

Journal: Organic letters20020808

626-17-5 | 1,3-Dicyanobenzene