Cas no 69984-78-7 (1H-Benzimidazole-6-carbonitrile(9CI))
69984-78-7 structure
Product Name:1H-Benzimidazole-6-carbonitrile(9CI)
1H-Benzimidazole-6-carbonitrile(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-6-carbonitrile(9CI)
- 1H-Benzimidazole-5-carbonitrile(9CI)
- 3H-Benzimidazole-5-carbonitrile
- 5(or 6)-Benzimidazolecarbonitrile (7CI)
- 5-Benzimidazolecarbonitrile(8CI)
- 5-Cyanobenzimidazole
- 6-Cyanobenzimidazole
- NSC 12001
- NSC-12001
- 6287-83-8
- 3H-benzo[d]imidazole-5-carbonitrile
- 1H-Benzimidazole-5-carbonitrile
- SCHEMBL10720
- 1H-Benzimidazole-6-carbonitrile
- NSC12001
- 1H-Benzimidazole-5-nitrile
- F20008
- CS-D0893
- EN300-84260
- 6-cyano-1H-benzimidazole
- DTXSID20978611
- SY128862
- MFCD06809988
- Z1642061012
- 1H-BENZOIMIDAZOLE-5-CARBONITRILE
- CHEMBL4585888
- 6-cyano-1H-benzimidazol
- benzimidazole-5-carbonitrile
- CS-13095
- AKOS006351262
- 1H-BENZO[D]IMIDAZOLE-6-CARBONITRILE
- AKOS015951029
- 69984-78-7
- 1H-benzo[d]imidazole-5-carbonitrile
- 1H-1,3-Benzodiazole-5-carbonitrile
- 5-Benzimidazolecarbonitrile
- 5-Cyanobenzimidazole, AldrichCPR
- AB30476
- 1H-Benzimidazole-5-carbonitrile #
-
- Inchi： 1S/C8H5N3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,(H,10,11)
- InChI Key： NICYTXJGZRYCEQ-UHFFFAOYSA-N
- SMILES： N1C=NC2C=CC(C#N)=CC1=2
Computed Properties
- Exact Mass: 143.04845
- Monoisotopic Mass: 143.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 193
- 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
- XLogP3: 1.5
- Topological Polar Surface Area: 52.5A^2
Experimental Properties
- Density: 1.33
- Boiling Point: 462.4°C at 760 mmHg
- Flash Point: 147.5°C
- Refractive Index: 1.684
- PSA: 52.47
1H-Benzimidazole-6-carbonitrile(9CI) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
69984-78-7 (1H-Benzimidazole-6-carbonitrile(9CI)) Related Products
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