Cas no 54648-07-6 (1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane)
54648-07-6 structure
Product Name:1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane
CAS No:54648-07-6
MF:C18H18N2O4
MW:326.346524715424
CID:376412
PubChem ID:108255
Update Time:2025-04-19
1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane Chemical and Physical Properties
Names and Identifiers
-
- 1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane
- 1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2H-indene
- 1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene
- SCHEMBL9263204
- DTXSID40969925
- 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-
- 54648-07-6
-
- Inchi： 1S/C18H18N2O4/c1-17(2)11-18(3,12-4-6-13(7-5-12)19(21)22)15-9-8-14(20(23)24)10-16(15)17/h4-10H,11H2,1-3H3
- InChI Key： SNODYNVSSVPIFV-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2=C(C=1)C(C)(C)CC2(C)C1C=CC(=CC=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 326.12674
- Monoisotopic Mass: 326.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 516
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- Density: 1.239
- Boiling Point: 452.6°Cat760mmHg
- Flash Point: 202.7°C
- Refractive Index: 1.598
- PSA: 86.28
1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
54648-07-6 (1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane) Related Products
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