FRCD

Common Name	Dinoterb(F05798)
2D Structure
FRCD ID	F05798
CAS Number	1420-07-1
PubChem CID	14994
Formula	C10H12N2O5
IUPAC Name	None
InChI Key	IIPZYDQGBIWLBU-UHFFFAOYSA-N
InChI	InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3
Canonical SMILES	CC(C)(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]
Isomeric SMILES	CC(C)(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]
Synonyms	2,4-Dinitro-6-tert-butylphenol DINOTERB 2-tert-Butyl-4,6-dinitrophenol Dinoterbe 1420-07-1 Stirpan forte Herbogil Dntbp Phenol, 2-tert-butyl-4,6-dinitro- Caswell No. 392F
Classifies	Pollutant Pesticide
Update Date	Nov 13, 2018 17:07

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Nitrophenols
Intermediate Tree Nodes	Not available
Direct Parent	Dinitrophenols
Alternative Parents	Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organonitrogen compounds Organooxygen compounds Propargyl-type 1,3-dipolar organic compounds Nitroaromatic compounds Organic oxoazanium compounds Phenylpropanes Nitrobenzenes
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.

Property Name	Property Value
Molecular Weight	240.215
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Complexity	314
Monoisotopic Mass	240.075
Exact Mass	240.075
XLogP	3.4
Formal Charge	0
Heavy Atom Count	17
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	1

MRLs

Food	Product Code	Country	MRLs	Application Date
Bud spices	0850000	European Union	0.05*	30/12/2015
Cloves (Cassia buds, Cassia buds, Cassia buds,)	0850010	European Union	0.05*	30/12/2015
Capers (Nasturtium pods, Nasturtium pods,)	0850020	European Union	0.05*	30/12/2015
Others (2)	0850990	European Union	0.05*	30/12/2015
Flower pistil spices	0860000	European Union	0.05*	30/12/2015
Saffron	0860010	European Union	0.05*	30/12/2015
Others (2)	0860990	European Union	0.05*	30/12/2015
Aril spices	0870000	European Union	0.05*	30/12/2015
Mace	0870010	European Union	0.05*	30/12/2015
Others (2)	0870990	European Union	0.05*	30/12/2015
SUGAR PLANTS	0900000	European Union	0.01*	30/12/2015
Sugar beet roots	0900010	European Union	0.01*	30/12/2015
Sugar canes (Agave leaves, Sweet sorghum canes,)	0900020	European Union	0.01*	30/12/2015
Chicory roots (Common polypody roots, Yacon roots,)	0900030	European Union	0.01*	30/12/2015
Commodities from	1010000	European Union	0.01*	30/12/2015
(a) swine (Wild boar (farmed),)	1011000	European Union	0.01*	30/12/2015
Muscle	1011010	European Union	0.01*	30/12/2015
Fat	1011020	European Union	0.01*	30/12/2015
Liver	1011030	European Union	0.01*	30/12/2015
Kidney	1011040	European Union	0.01*	30/12/2015

Title	Journal	Date	Pubmed ID
Assessment of phenolic herbicide toxicity and mode of action by different assays.	Environ Sci Pollut Res Int	2016 Apr	26695414