Cas no 1630-08-6 (1,3-Benzenediamine,2,4,6-trinitro-)
1630-08-6 structure
Product Name:1,3-Benzenediamine,2,4,6-trinitro-
1,3-Benzenediamine,2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine,2,4,6-trinitro-
- 2,4,6-trinitrobenzene-1,3-diamine
- 2,4-Diamino-1,3,5-trinitrobenzene
- 1,3-Diamino-2,4,6-trinitrobenzene
- 2,4,6-Trinitro-1,3-benzenediamine
- DATB
- m-Phenylenediamine, 2,4,6-trinitro-
- 2,4,6-Trinitro-m-diphenylamine
- 1,4,6-trinitrobenzene
- AKOS015996088
- NS00025317
- 1,3-Benzenediamine, 2,4,6-trinitro-
- 28930-29-2
- 2,6-Trinitro-1,3-benzenediamine
- DTXSID9061833
- NSC3638
- m-Phenylenediamine,4,6-trinitro-
- 1,3-diamino-2,4,6-trinitro-benzene
- V9GJ9A8BLQ
- SCHEMBL2521402
- NSC 3638
- 1630-08-6
- EINECS 216-626-4
- NSC-3638
-
- Inchi： 1S/C6H5N5O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H,7-8H2
- InChI Key： FZAZPMLWYUKRAE-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(=C(C=C(C=1N)[N+](=O)[O-])[N+](=O)[O-])N)=O
Computed Properties
- Exact Mass: 148.02332
- Monoisotopic Mass: 243.024
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 318
- 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
- Topological Polar Surface Area: 190A^2
- XLogP3: 1.1
Experimental Properties
- Density: 1.877
- Boiling Point: 547.9°Cat760mmHg
- Flash Point: 285.2°C
- Refractive Index: 1.604
- PSA: 138.32
- LogP: 3.30760
1,3-Benzenediamine,2,4,6-trinitro- Security Information
- Hazardous Material transportation number：UN 0473
- Packing Group：II
- Hazard Level：1.1A
- HazardClass：1.1A
- PackingGroup：II
1,3-Benzenediamine,2,4,6-trinitro- Related Literature
-
Julio Cesar Duarte,Romulo Dias da Rocha,Itamar Borges Phys. Chem. Chem. Phys. 2023 25 6877
-
Imanuel Bier,Dana O'Connor,Yun-Ting Hsieh,Wen Wen,Anna M. Hiszpanski,T. Yong-Jin Han,Noa Marom CrystEngComm 2021 23 6023
-
Xudong He,Ying Xiong,Xianfeng Wei,Chaoyang Zhang Phys. Chem. Chem. Phys. 2019 21 17868
-
Hidetoshi Noda,Yasuko Asada,Masakatsu Shibasaki,Naoya Kumagai Chem. Commun. 2017 53 7447
-
5. Metal complexes of 1,4-di-(o-aminothiophenoxy)but-trans-2-eneD. C. Goodall J. Chem. Soc. A 1966 1562
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