Cas no 613-23-0 (1,2-Phenylenediacetonitrile)
1,2-Phenylenediacetonitrile structure
Product Name:1,2-Phenylenediacetonitrile
1,2-Phenylenediacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Phenylenediacetonitrile
- o-Phenylenediacetonitrile
- AMY13394
- AS-11784
- AKOS003388281
- alpha,alpha'-Dicyano-o-xylene
- o-Bis(cyanomethyl)benzene
- 2-[2-(cyanomethyl)phenyl]acetonitrile
- AC-22737
- EN300-75165
- PB47619
- CS-W018007
- o-Xylylene Cyanide
- FT-0606304
- o-Phenylenediacetonitrile;Phthalic acetonitrile
- 1,2-Bis(cyanomethyl)benzene
- o-Xylylendicyanid
- X0050
- Z1171979160
- A24726
- o-xylylenedicyanide
- UNII-FGS58Z5HPA
- SY025677
- o-Xylylene dicyanide
- W-105164
- FGS58Z5HPA
- 2,2'-o-Phenylenediacetonitrile
- 2,2'-(1,2-Phenylene)diacetonitrile
- 2,2'-(1,2-Phenylene)diacetonitrile;2,2'-(1,2-Phenylene)diacetonitrile
- NSC-5170
- SCHEMBL1945874
- 613-73-0
- NSC 5170
- EINECS 210-351-3
- DTXSID00210203
- NS00022500
- NSC5170
- o-Phenylene diacetonitrile
- 613-23-0
- o-Benzenediacetonitrile
- 1,2-Benzenediacetonitrile
- MFCD00001905
- InChI=1/C10H8N2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4H,5-6H
-
- Inchi： 1S/C10H8N2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4H,5-6H2
- InChI Key： FWPFXBANOKKNBR-UHFFFAOYSA-N
- SMILES： N#CCC1C=CC=CC=1CC#N
Computed Properties
- Exact Mass: 156.069
- Monoisotopic Mass: 156.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 47.6A^2
- XLogP3: 1.2
Experimental Properties
- Density: 1.101 g/cm3
- Boiling Point: 325.4oC at 760 mmHg
- Flash Point: 157.7oC
- Refractive Index: 1.549
- PSA: 47.58000
- LogP: 1.81876
1,2-Phenylenediacetonitrile Related Literature
-
1. Biphenylenes. Part 32. A new, general synthesis of mono- and poly-benzobiphenylenes from substituted benzocyclobutene-1,2-diones and ortho-bis(cyanomethyl)arenesPaul R. Buckland,Nigel P. Hacker,John F. W. McOmie J. Chem. Soc. Perkin Trans. 1 1983 1443
-
Robin Giereth,Immanuel Reim,Wolfgang Frey,Henrik Junge,Stefanie Tschierlei,Michael Karnahl Sustainable Energy Fuels 2019 3 692
-
H. Hashemi,D. Saberi,S. Poorsadeghi,Kh. Niknam RSC Adv. 2017 7 7619
-
Filippo Ronzani,Emmanuel Arzoumanian,Sylvie Blanc,Patrice Bordat,Thierry Pigot,Cyril Cugnet,Esther Oliveros,Mohamed Sarakha,Claire Richard,Sylvie Lacombe Phys. Chem. Chem. Phys. 2013 15 17219
-
5. XVII.—The formation and reactions of imino-compounds. Part VI. The formation of derivatives of hydrindene from o-phenylenediacetonitrileCharles Watson Moore,Jocelyn Field Thorpe J. Chem. Soc. Trans. 1908 93 165
613-23-0 (1,2-Phenylenediacetonitrile) Related Products
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- 76574-43-1(2-(2,3-Dimethylphenyl)acetonitrile)
- 1823-91-2(2-Phenylpropionitrile)
- 34688-71-6(2-Mesitylacetonitrile)
- 16213-85-7(2-(2,5-Dimethylphenyl)acetonitrile)
- 3020-06-2(2-(3,4-Dimethylphenyl)acetonitrile)
- 613-73-0(2-[2-(cyanomethyl)phenyl]acetonitrile)
- 14611-44-0(2,3,5,6-Tetramethylphenylacetonitrile,)
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