Cas no 20033-48-1 (1,3-Benzenedicarbonitrile, 2-amino-5-nitro-)
20033-48-1 structure
Product Name:1,3-Benzenedicarbonitrile, 2-amino-5-nitro-
CAS No:20033-48-1
MF:C8H4N4O2
MW:188.142960548401
CID:238977
PubChem ID:13691769
Update Time:2025-04-19
1,3-Benzenedicarbonitrile, 2-amino-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonitrile, 2-amino-5-nitro-
- 2-amino-5-nitrobenzene-1,3-dicarbonitrile
- 2,6-dicyano-4-nitro-aniline
- SCHEMBL2964049
- A814190
- 2-amino-5-nitro-benzene-1,3-dicarbonitrile
- 20033-48-1
- 2,6-DICYANO-4-NITROANILINE
- DTXSID50546827
- ZBEGDHIBRPHOBV-UHFFFAOYSA-N
- 2-amino-5-nitroisophthalonitrile
-
- Inchi： 1S/C8H4N4O2/c9-3-5-1-7(12(13)14)2-6(4-10)8(5)11/h1-2H,11H2
- InChI Key： ZBEGDHIBRPHOBV-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C#N)C(=C(C#N)C=1)N)=O
Computed Properties
- Exact Mass: 188.03352
- Monoisotopic Mass: 188.03342538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 304
- 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: 1.1
- Topological Polar Surface Area: 119?2
Experimental Properties
- PSA: 116.74
1,3-Benzenedicarbonitrile, 2-amino-5-nitro- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
20033-48-1 (1,3-Benzenedicarbonitrile, 2-amino-5-nitro-) Related Products
- 26830-95-5(4-Methyl-2-nitrobenzonitrile)
- 12402-46-9(3-NITROBENZONITRILE)
- 64113-86-6(5-Methyl-2-nitrobenzonitrile)
- 96784-54-2(3-Methyl-4-nitrobenzonitrile)
- 619-24-9(3-Nitrobenzonitrile)
- 87376-25-8(2-Amino-4-nitrobenzonitrile)
- 17420-30-3(2-amino-5-nitro-benzonitrile)
- 939-79-7(2-Nitro-p-toluonitrile)
- 612-24-8(2-Nitrobenzonitrile)
- 35213-00-4(2,6-Dinitrobenzonitrile)
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