Cas no 114168-48-8 (Benzoic acid,4-amino-2,6-dinitro-)
114168-48-8 structure
Product Name:Benzoic acid,4-amino-2,6-dinitro-
CAS No:114168-48-8
MF:C7H5N3O6
MW:227.131101369858
CID:106199
PubChem ID:2762524
Update Time:2025-04-18
Benzoic acid,4-amino-2,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-amino-2,6-dinitro-
- 4-AMINO-2,6-DINITROBENZOIC ACID
- 4-Amino-2,6-dinitro-benzoesaeure
- 4-amino-2,6-dinitro-benzoic acid
- Benzoic acid,4-amino-2,6-dinitro
- Ccris 9230
- O22WEX3KL7
- NS00006045
- FT-0617456
- Benzoic acid, 4-amino-2,6-dinitro-
- 2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)ETHANAMINEHYDROCHLORIDE
- CCRIS 9300
- UNII-O22WEX3KL7
- DTXSID70921293
- AKOS015909102
- Q27893847
- 114168-48-8
-
- Inchi： 1S/C7H5N3O6/c8-3-1-4(9(13)14)6(7(11)12)5(2-3)10(15)16/h1-2H,8H2,(H,11,12)
- InChI Key： HRBPUPBLMZFYBP-UHFFFAOYSA-N
- SMILES： OC(C1C(=CC(=CC=1[N+](=O)[O-])N)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 227.01800
- Monoisotopic Mass: 227.018
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 297
- 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: 0.4
- Topological Polar Surface Area: 155?2
Experimental Properties
- Density: 1.775
- Boiling Point: 503 oC
- Flash Point: 258 oC
- Refractive Index: 1.719
- PSA: 154.96000
- LogP: 2.41100
Benzoic acid,4-amino-2,6-dinitro- 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
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
114168-48-8 (Benzoic acid,4-amino-2,6-dinitro-) Related Products
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- 16533-71-4(3,5-Dinitro-4-methylbenzoic Acid)
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- 28169-46-2(3,5-Dinitro-o-toluic Acid)
- 50573-74-5(2-Amino-6-nitrobenzoic acid)
- 552-16-9(2-Nitrobenzoic acid)
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