Cas no 26952-42-1 (Benzenamine, trinitro-)
Benzenamine, trinitro- structure
Product Name:Benzenamine, trinitro-
CAS No:26952-42-1
MF:C6H4N4O6
MW:228.119160652161
CID:279810
PubChem ID:3032829
Update Time:2025-04-19
Benzenamine, trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, trinitro-
- 2,3,4-trinitroaniline
- TRINITROANILINE
- 26952-42-1
- DTXSID10949734
- EINECS 248-137-7
- SCHEMBL304540
- NS00052124
-
- Inchi： 1S/C6H4N4O6/c7-3-1-2-4(8(11)12)6(10(15)16)5(3)9(13)14/h1-2H,7H2
- InChI Key： IVOMCIOXYNVSEW-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(=CC=C(C=1[N+](=O)[O-])N)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 228.01312
- Monoisotopic Mass: 228.013084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 317
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.3
- Topological Polar Surface Area: 164
Experimental Properties
- Density: 1.792
- Boiling Point: 541.9°Cat760mmHg
- Flash Point: 281.5°C
- Refractive Index: 1.717
- PSA: 132.66
Benzenamine, trinitro- Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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