Basic Info

Common NameChlormequat Chloride(F05900)
2D Structure
FRCD IDF05900
CAS Number999-81-5
PubChem CID13836
FormulaC5H13Cl2N
IUPAC Name

2-chloroethyl(trimethyl)azanium;chloride

InChI Key

UHZZMRAGKVHANO-UHFFFAOYSA-M

InChI

InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1

Canonical SMILES

C[N+](C)(C)CCCl.[Cl-]

Isomeric SMILES

C[N+](C)(C)CCCl.[Cl-]

Synonyms
        
            2-Chloro-N,N,N-trimethylethanaminium chloride
        
            Chlormequat chloride
        
            999-81-5
        
            Chlormequat
        
            Chlorocholine chloride
        
            (2-Chloroethyl)trimethylammonium chloride
        
            Antywylegacz
        
            CYCOCEL
        
            Cyclocel
        
            Stabilan
        
Classifies
                

                  
                    Pesticide
                  

                
        
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassQuaternary ammonium salts
Intermediate Tree NodesNot available
Direct ParentTetraalkylammonium salts
Alternative Parents
Molecular FrameworkAliphatic acyclic compounds
SubstituentsTetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.

Properties

Property NameProperty Value
Molecular Weight158.066
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Complexity46.5
Monoisotopic Mass157.043
Exact Mass157.043
Formal Charge0
Heavy Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

MRLs

FoodProduct CodeCountryMRLsApplication DateNotes
VegetableAustriasee eu mrls
FruitAustriasee eu mrls
VegetableBelgiumsee eu mrls
FruitBelgiumsee eu mrls
GrapeAustralia0.75mg/kg
RaisinAustralia0.75mg/kg
BeansSwitzerland0.05mg/kg
VegetableFinlandsee eu mrls
VegetableDenmarksee eu mrls
FruitFinlandsee eu mrls
FruitDenmarksee eu mrls
PearSwitzerland3mg/kg
GrapeSwitzerland1mg/kg
PeaSwitzerland0.05mg/kg
WheatAustralia5mg/kg
VegetableFrancesee eu mrls
FruitFrancesee eu mrls
Citrus FruitsIsrael3mg/kg
Cotton SeedIndia1mg/kg
GrapeIndia1mg/kg

References

TitleJournalDatePubmed ID
Rapid determination of polar pesticides and plant growth regulators in fruits andvegetables by liquid chromatography/tandem mass spectrometry.J Environ Sci Health B2018 May 22:1-1029787687
Modified QuEChERS method for 24 plant growth regulators in grapes using LC-MS/MS.J Food Drug Anal2018 Apr29567233
Fast analysis of quaternary ammonium pesticides in food and beverages usingcation-exchange chromatography coupled with isotope-dilution high-resolution massspectrometry.J Sep Sci2017 Oct28779575
Responses in Micro-Mineral Metabolism in Rainbow Trout to Change in DietaryIngredient Composition and Inclusion of a Micro-Mineral Premix.PLoS One2016 Feb 1926895186
Rapid detection of pesticides not amenable to multi-residue methods by flowinjection-tandem mass spectrometry.Anal Bioanal Chem2014 Nov24518902
Impacts of a neonicotinoid, neonicotinoid-pyrethroid premix, and anthranilicdiamide insecticide on four species of turf-inhabiting beneficial insects.Ecotoxicology2014 Mar24493235
GAIN Premix Facility: an innovative approach for improving access to qualityvitamin and mineral premix in fortification initiatives.Food Nutr Bull2012 Dec23444719
Fortification of staple cereal flours with iron and other micronutrients: costimplications of following World Health Organization-endorsed recommendations.Food Nutr Bull2012 Dec23444715
Establishing bioequivalence of veterinary premixes (Type A medicated articles).J Vet Pharmacol Ther2012 Apr22413792
Dissipation and residues of chlormequat in wheat and soil.Bull Environ Contam Toxicol2010 Feb19960179
Assay of florfenicol in swine feed: interlaboratory study.J AOAC Int2009 Jan-Feb19382592
Potentiometric determination of polyether ionophores growth promotors in animalfeed preparations.J Pharm Biomed Anal2002 Jul 2012093487
Determination of chlormequat and mepiquat in pear, tomato, and wheat flour using on-line solid-phase extraction (Prospekt) coupled with liquidchromatography-electrospray ionization tandem mass spectrometry.J Chromatogr A2002 Aug 912214689
Investigation of the herbicide glyphosate and the plant growth regulatorschlormequat and mepiquat in cereals produced in Denmark.Food Addit Contam2001 Oct11569770
Residues of chlormequat and mepiquat in grain--results from the Danish NationalPesticide Survey.J AOAC Int1999 Mar-Apr10191539
The need for larger analytical samples with granulated feed additives.J AOAC Int1993 Sep-Oct8241822