Cas no 22433-92-7 (1,3-Benzenedicarbonitrile, 4-methoxy-)
22433-92-7 structure
Product Name:1,3-Benzenedicarbonitrile, 4-methoxy-
CAS No:22433-92-7
MF:C9H6N2O
MW:158.15674161911
CID:1409853
PubChem ID:5061995
Update Time:2025-04-20
1,3-Benzenedicarbonitrile, 4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonitrile, 4-methoxy-
- 2,4-dicyano-1-methoxybenzene
- DB-313101
- FKYJRTADEPVQIT-UHFFFAOYSA-N
- DTXSID101293063
- 22433-92-7
- 4-Methoxyisophthalonitrile
- 2,4-dicyanoanisole
- 4-Methoxy-1,3-benzenedicarbonitrile
- SCHEMBL2094284
- 4-Methoxyisophthalonitrile, 97%
-
- Inchi： 1S/C9H6N2O/c1-12-9-3-2-7(5-10)4-8(9)6-11/h2-4H,1H3
- InChI Key： FKYJRTADEPVQIT-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C#N)=CC=1C#N
Computed Properties
- Exact Mass: 158.04808
- Monoisotopic Mass: 158.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 244
- 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: 1.3
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
1,3-Benzenedicarbonitrile, 4-methoxy- Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
22433-92-7 (1,3-Benzenedicarbonitrile, 4-methoxy-) Related Products
- 16932-49-3(2,6-Dimethoxybenzonitrile)
- 6609-56-9(2-Methoxybenzonitrile)
- 4107-65-7(2,4-Dimethoxybenzonitrile)
- 53078-69-6(2-Methoxy-4-methylbenzonitrile)
- 53078-70-9(2-Methoxy-5-methylbenzonitrile)
- 39835-11-5(2-Hydroxy-4-methoxybenzonitrile)
- 3556-60-3(3-Methoxy-4-methylbenzonitrile)
- 5312-97-0(2,5-Dimethoxybenzonitrile)
- 1041593-26-3(2-(2-Naphthyloxy)benzonitrile)
- 6476-32-0(2-Phenoxybenzonitrile)
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