Cas no 35998-97-1 (N,n-diethyl-3,4-dinitroaniline)
35998-97-1 structure
Product Name:N,n-diethyl-3,4-dinitroaniline
CAS No:35998-97-1
MF:C10H13N3O4
MW:239.227922201157
CID:920921
PubChem ID:352313
Update Time:2025-04-19
N,n-diethyl-3,4-dinitroaniline Chemical and Physical Properties
Names and Identifiers
-
- N,n-diethyl-3,4-dinitroaniline
- 4-Diethylamino-1,2-dinitrobenzol
- AC1L705Q
- CTK1C5851
- N,N-Diaethyl-3,4-dinitro-anilin
- N,N-Diethyl-2,4-dinitroanilin
- N,N-diethyl-3,4-dinitro-aniline
- NSC525804
- 35998-97-1
- NSC-525804
- DS-011762
- DTXSID50326242
- 3,4-Dinitrodiathylanilin
-
- Inchi: 1S/C10H13N3O4/c1-3-11(4-2)8-5-6-9(12(14)15)10(7-8)13(16)17/h5-7H,3-4H2,1-2H3
- InChI Key: SYJXOJDINHXELG-UHFFFAOYSA-N
- SMILES: [O-][N+](C1=C(C=CC(=C1)N(CC)CC)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 239.09069
- Monoisotopic Mass: 239.091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 282
- 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: 2.4
- Topological Polar Surface Area: 94.9?2
Experimental Properties
- Density: 1.299
- Boiling Point: 402.6°C at 760 mmHg
- Flash Point: 197.3°C
- Refractive Index: 1.599
- PSA: 89.52
N,n-diethyl-3,4-dinitroaniline Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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