Cas no 2904-60-1 (1,4-Benzenedicarbonitrile,2,3,5,6-tetramethyl-, N1,N4-dioxide)
2904-60-1 structure
Product Name:1,4-Benzenedicarbonitrile,2,3,5,6-tetramethyl-, N1,N4-dioxide
CAS No:2904-60-1
MF:C12H12N2O2
MW:216.235882759094
CID:263688
PubChem ID:76184
Update Time:2025-04-19
1,4-Benzenedicarbonitrile,2,3,5,6-tetramethyl-, N1,N4-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarbonitrile,2,3,5,6-tetramethyl-, N1,N4-dioxide
- tetramethylterephthalonitrile N,N'-dioxide
- 2,3,5,6-Tetramethylterephthalonitrildioxid
- Tetramethyl-terephthalo-bis-nitriloxyd
- DTXSID4062694
- 1,4-Benzenedicarbonitrile, 2,3,5,6-tetramethyl-, N,N'-dioxide
- AKOS003243927
- NSC87614
- NSC-87614
- 2904-60-1
- SCHEMBL2437162
- Terephthalonitrile, tetramethyl-, N,N'-dioxide
- NCIOpen2_005244
- Terephthalonitrile, N,N'-dioxide
- EINECS 220-804-7
- NS00028607
- 1,4-Benzenedicarbonitrile, 2,3,5,6-tetramethyl-, N1,N4-dioxide
- NSC 87614
-
- Inchi： 1S/C12H12N2O2/c1-7-8(2)12(6-14-16)10(4)9(3)11(7)5-13-15/h1-4H3
- InChI Key： RPJCZVIYUCJOSA-UHFFFAOYSA-N
- SMILES： O=[N+]=C=C1C(C)=C(C)C(=C=N[O-])C(C)=C1C
Computed Properties
- Exact Mass: 216.09000
- Monoisotopic Mass: 216.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 468
- 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: 53.5A^2
Experimental Properties
- Density: 1.09
- Refractive Index: 1.543
- PSA: 61.34000
- LogP: 2.73056
1,4-Benzenedicarbonitrile,2,3,5,6-tetramethyl-, N1,N4-dioxide Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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