Cas no 15138-43-9 (1,3-Benzenedicarbonitrile,2,4,6-trimethyl-, N,N'-dioxide (9CI))
15138-43-9 structure
Product Name:1,3-Benzenedicarbonitrile,2,4,6-trimethyl-, N,N'-dioxide (9CI)
CAS No:15138-43-9
MF:C11H10N2O2
MW:202.209302425385
CID:145972
PubChem ID:27064
Update Time:2025-04-19
1,3-Benzenedicarbonitrile,2,4,6-trimethyl-, N,N'-dioxide (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonitrile,2,4,6-trimethyl-, N,N'-dioxide (9CI)
- 2,4,6-Trimethyl-1,3-benzenedicarbonitrile oxide
- 2,4,6-trimethylbenzene-1,3-dicarbonitrile oxide
- 1,2,4,6-trimethyl-,N,N'-dioxide
- 2,4,6-Trimethyl-isophthalo-bis-nitriloxid
- 2,4,6-Trimethylisophthalonitrile N,N'-dioxide
- ISOPHTHALONITRILE,2,4,6-TRIMETHYL-,N,N'-DIOXIDE
- NSC93008
- 15138-43-9
- 1, 2,4,6-trimethyl-, N,N'-dioxide
- 1,3-Benzenedicarbonitrile, 2,4,6-trimethyl-, N,N'-dioxide
- ISOPHTHALONITRILE, 2,4,6-TRIMETHYL-, N,N'-DIOXIDE
- NSC-93008
- 2,6-Trimethylisophthalonitrile N,N'-dioxide
- BRN 3096014
- NSC 93008
- Isophthalonitrile,4,6-trimethyl-, N,N'-dioxide
- DTXSID40164771
-
- Inchi： 1S/C11H10N2O2/c1-7-4-8(2)11(6-13-15)9(3)10(7)5-12-14/h4H,1-3H3
- InChI Key： YZHOPEMIKZYPJE-UHFFFAOYSA-N
- SMILES： [O-][N+]#CC1C(C)=CC(C)=C(C#[N+][O-])C=1C
Computed Properties
- Exact Mass: 202.07400
- Monoisotopic Mass: 202.074228
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 320
- 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: 61.3
- XLogP3: 1.3
Experimental Properties
- Density: 1.1
- Refractive Index: 1.547
- PSA: 61.34000
- LogP: 2.42216
1,3-Benzenedicarbonitrile,2,4,6-trimethyl-, N,N'-dioxide (9CI) Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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