Cas no 13985-60-9 (Benzene,2-ethyl-1,3,5-trinitro-)
13985-60-9 structure
Product Name:Benzene,2-ethyl-1,3,5-trinitro-
CAS No:13985-60-9
MF:C8H7N3O6
MW:241.157681703568
CID:192722
PubChem ID:26373
Update Time:2025-04-19
Benzene,2-ethyl-1,3,5-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2-ethyl-1,3,5-trinitro-
- 2-ethyl-1,3,5-trinitrobenzene
- 2,4,6-Trinitroethylbenzene
- BRN 2001103
- Ethyl-2,4,6-trinitrobenzene
- trinitroethylbenzene
- EINECS 237-778-8
- 13985-60-9
- 2-Ethyl-1,3,5-trinitro-benzene
- BENZENE, 2-ETHYL-1,3,5-TRINITRO-
- 9UX7T559VE
- 4-05-00-00916 (Beilstein Handbook Reference)
- 1-ethyl-2,4,6-trinitrobenzene
- DTXSID90161179
- SCHEMBL4000997
- NS00024522
- UNII-9UX7T559VE
-
- Inchi： 1S/C8H7N3O6/c1-2-6-7(10(14)15)3-5(9(12)13)4-8(6)11(16)17/h3-4H,2H2,1H3
- InChI Key： VDKWJWFQFPWXFC-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1CC)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 241.03351
- Monoisotopic Mass: 241.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 306
- 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: 2
- Topological Polar Surface Area: 138A^2
Experimental Properties
- Density: 1.528
- Boiling Point: 337.6°C at 760 mmHg
- Flash Point: 159.3°C
- Refractive Index: 1.62
- PSA: 129.42
Benzene,2-ethyl-1,3,5-trinitro- Security Information
- Hazardous Material transportation number：0473
- HazardClass：1.1A
Benzene,2-ethyl-1,3,5-trinitro- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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