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626-17-5 | Isophthalonitrile
CAS No: 626-17-5 Catalog No: AG003DJI MDL No:MFCD00001795
Product Description
Catalog Number:
AG003DJI
Chemical Name:
Isophthalonitrile
CAS Number:
626-17-5
Molecular Formula:
C8H4N2
Molecular Weight:
128.1308
MDL Number:
MFCD00001795
IUPAC Name:
benzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
InChI Key:
LAQPNDIUHRHNCV-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C#N
EC Number:
210-933-7
UNII:
7G36N0292W
NSC Number:
87880
RTECS Number:
CZ1900000
Properties
Complexity:
180
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:
0.8
Literature
| Title | Journal |
|---|---|
| Unique piezochromic fluorescence behavior of dicyanodistyrylbenzene based donor-acceptor-donor triad: mechanically controlled photo-induced electron transfer (eT) in molecular assemblies. | Advanced materials (Deerfield Beach, Fla.) 20121023 |
| Photostimulated reduction of nitriles by SmI2. | The Journal of organic chemistry 20120420 |
| Solid-state density functional theory investigation of the terahertz spectra of the structural isomers 1,2-dicyanobenzene and 1,3-dicyanobenzene. | The journal of physical chemistry. A 20101202 |
| [One case of isophthalonitrile mixture burning combined with peripheral nerve injury]. | Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases 20100501 |
| Solvent-free, microwave assisted synthesis of polyhalo heterocyclic ketene aminals as novel anti-cancer agents. | Bioorganic & medicinal chemistry letters 20100101 |
| Synergy effects of electric and magnetic fields on locally excited-state fluorescence of photoinduced electron transfer systems in a polymer film. | The journal of physical chemistry. A 20091008 |
| Stereoselective desymmetrisation of prochiral alpha,alpha-dicyanoalkenes via domino Michael-Michael addition reactions. | Organic & biomolecular chemistry 20080807 |
| High-resolution waveguide terahertz spectroscopy of partially oriented organic polycrystalline films. | The journal of physical chemistry. A 20071101 |
| Semi-quantitative immunohistochemical analysis of male rat-specific alpha2u-globulin accumulation for chemical toxicity evaluation. | The Journal of toxicological sciences 20060201 |
| Steric effect on fluorescence quenching. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20050701 |
| Low-field optically detected EPR spectroscopy of transient photoinduced radical pairs. | The journal of physical chemistry. A 20050616 |
| Scale-down studies on the hydrodynamics of two-liquid phase biocatalytic reactors. | Bioprocess and biosystems engineering 20020901 |
| A one-pot access to 6-substituted phenanthridines from fluoroarenes and nitriles via 1,2-arynes. | Organic letters 20020808 |
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