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Synopsis, Chemistry

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Also known as: 6365-83-9, Dinoseb-ammonium [iso], 4,6-dinitro-o-sec-butylphenol ammonium salt, B5tnv5e10b, Azanium 2-butan-2-yl-4,6-dinitrophenolate, Selective

Molecular Formula

C₁₀H₁₅N₃O₅

Molecular Weight

257.24 g/mol

InChI Key

RVSKHYSPNBOJDL-UHFFFAOYSA-N

FDA UNII

B5TNV5E10B

1 2D Structure

Selective

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

azanium;2-butan-2-yl-4,6-dinitrophenolate

2.1.2 InChI

InChI=1S/C10H12N2O5.H3N/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;/h4-6,13H,3H2,1-2H3;1H3

2.1.3 InChI Key

RVSKHYSPNBOJDL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])[O-].[NH4+]

2.2 Other Identifiers

2.2.1 UNII

B5TNV5E10B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,4-dinitro-6-sec-butylphenol

2. 2-sec-butyl-4,6-dinitrophenol

3. Dinitrobutylphenol

4. Dinoseb

5. Dinoseb Ammonium Salt

6. Dinoseb Ethanolamine Salt

7. Dinoseb Sodium Salt

8. Dinoseb Triethanolamine Salt

9. Dnbp

2.3.2 Depositor-Supplied Synonyms

1. 6365-83-9

2. Dinoseb-ammonium [iso]

3. 4,6-dinitro-o-sec-butylphenol Ammonium Salt

4. B5tnv5e10b

5. Azanium 2-butan-2-yl-4,6-dinitrophenolate

6. Selective

7. Dow Selective

8. Chemox Selective

9. Dinoterb-ammonium

10. Dinoseb (amine)

11. Sinox W

12. Dnbp Ammonium Salt

13. Butophen

14. Ammonium 2-sec-butyl-4,6-dinitrophenolate

15. Dinoseb, Ammonium Salt

16. Einecs 228-858-3

17. Unii-b5tnv5e10b

18. Dinoseb Ammonium

19. 4,6-dinitro-2-sec-butylphenol Ammonium Salt

20. 2-sec-butyl-4,6-dinitrophenol, Ammonium Salt

21. 4,6-dinitro-2-sec.butylfenolate Ammony [czech]

22. Phenol, 2-sec-butyl-4,6-dinitro-, Ammonium Salt

23. Dinoseb Ammonium Salt

24. 2-(1-methyl-n-propyl) 4,6-dinitrophenol, Ammonium Salt

25. 4,6-dinitro-2-sec.butylfenolate Ammony

26. Phenol, 2-sec-butyl-4,6-dinitro-, Amine Deriv.

27. Schembl5933971

28. Dtxsid9058444

29. Phenol, 2-(1-methylpropyl)-4,6-dinitro-, Ammonium Salt

30. Dinoseb Ammonium Salt [ii]

31. Dinoseb Ammonium Salt [mi]

32. Q27274407

33. (rs)-dimethylammonium 2-sec-butyl-4,6-dinitrophenolate Ammonium Salt

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅N₃O₅
Molecular Weight	257.24 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	257.10117059 g/mol
Monoisotopic Mass	257.10117059 g/mol
Topological Polar Surface Area	116 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	298
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Insecticides

Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics. (See all compounds classified as Insecticides.)

Herbicides

Pesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE. (See all compounds classified as Herbicides.)

Pesticides

Chemicals used to destroy pests of any sort. The concept includes fungicides (FUNGICIDES, INDUSTRIAL); INSECTICIDES; RODENTICIDES; etc. (See all compounds classified as Pesticides.)