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Dinoseb Standard - 2000ug/ml in high purity Methanol, high purity , CAS No.88-85-7
Basic Description
Synonyms
2-(1-Methylpropyl)-4,6-dinitrophenol | Dow general weed killer | 4,6-Dinitro-2-(1-methyl-propyl)phenol | NCGC00164373-01 | DNOSBP | NSC 202753 | Phenotan | Tubotox | 4,6-Dinitro-2-(1-methyl-n-propyl)phenol | 4,6-Dinitro-2-(2-butyl)phenol | Gebutox | 2-(bu
Specifications & Purity
2000ug/ml in high purity Methanol
Storage Temp
Store at 2-8°C,Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Phenols Single Compound Standards US EPA Methods:604,627,8270,1311
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Nitrophenols
Intermediate Tree Nodes
Not available
Direct Parent
Dinitrophenols
Alternative Parents
Phenylpropanes Nitrobenzenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitrophenol - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitrophenols. These are organic aromatic compounds containing a benzene that carries a single phenol group and exactly two nitro groups.
External Descriptors
Nitrophenol herbicides
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-butan-2-yl-4,6-dinitrophenol
INCHI
InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
InChIKey
OWZPCEFYPSAJFR-UHFFFAOYSA-N
Smiles
CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
Isomeric SMILES
CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
WGK Germany
2
UN Number
2779
Packing Group
I
Molecular Weight
240.21
Reaxy-Rn
2058234
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2058234&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
240.210 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
240.075 Da
Monoisotopic Mass
240.075 Da
Topological Polar Surface Area
112.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
298.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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1 Citations
F2424165