Cas no 13171-58-9 (1,3-Benzenediamine,2,4,6-trimethyl-5-nitro-)
13171-58-9 structure
Product Name:1,3-Benzenediamine,2,4,6-trimethyl-5-nitro-
CAS No:13171-58-9
MF:C9H13N3O2
MW:195.218421697617
CID:141091
PubChem ID:293105
Update Time:2025-04-19
1,3-Benzenediamine,2,4,6-trimethyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine,2,4,6-trimethyl-5-nitro-
- 2,4,6-trimethyl-5-nitrobenzene-1,3-diamine
- 1,3-diamino-5-nitro-2,4,6-trimethylbenzene
- 2,4,6-Trimethyl-5-nitro-m-phenylendiamin
- 2,4,6-trimethyl-5-nitro-m-phenylenediamine
- 6-Nitro-2.4-diamino-1.3.5-trimethyl-benzol
- 6-Nitro-2.4-diamino-mesitylen
- AC1L6JGO
- AC1Q1YAK
- AG-K-92455
- AR-1D3116
- CTK4B7460
- Diaminonitromesitylen
- NSC159421
- NSC-159421
- DTXSID00303624
- 13171-58-9
-
- Inchi： 1S/C9H13N3O2/c1-4-7(10)5(2)9(12(13)14)6(3)8(4)11/h10-11H2,1-3H3
- InChI Key： JLBUUEYPQXGTRY-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(C)=C(C(C)=C(C=1C)N)N)=O
Computed Properties
- Exact Mass: 195.10089
- Monoisotopic Mass: 195.101
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 213
- 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: 1.5
- Topological Polar Surface Area: 97.9?2
Experimental Properties
- Density: 1.262
- Boiling Point: 407.7°C at 760 mmHg
- Flash Point: 200.3°C
- Refractive Index: 1.64
- PSA: 95.18
- LogP: 3.37000
1,3-Benzenediamine,2,4,6-trimethyl-5-nitro- Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
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
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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