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Chlormequat chloride

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Name Chlormequat chloride EINECS 213-666-4
CAS No. 999-81-5 Density
Solubility Soluble in water. Insoluble in benzene, xylene, anhydrous ethanol. Soluble in propanol Melting Point 239-243 °C (dec.)(lit.)
Formula C5H13Cl2N Boiling Point
Molecular Weight 158.09 Flash Point
Transport Information UN 2811 6.1/PG 3 Appearance White crystal powder, with fish odor
Safety 36/37 Risk Codes 21/22
Molecular Structure Molecular Structure of 999-81-5 (Chlormequat chloride) Hazard Symbols HarmfulXn
Synonyms

Cyclocel;EI 38,555;Trimethyl-beta-chloroethylammonium chloride;Barleyquat B;CCC Plant growth regulant;Barleyquat;Trimethyl-.beta.-chlorethylammoniumchlorid;(2-Chloroethyl)trimethylchloride ammonium;Cycogan extra;Microcil;Bettaquat;Bercema CCC;Cycocel C 5;Cycogan;Halloween;Cycocel-extra;5C Cycocel;Zar;TUR;Antywylegacz;WR 62;Cycocel 460;Arotex Extra;Chlorcholine chloride;Hyquat;Mirbel 5;Trimethyl-.beta.-chloroethylammonium chloride;AC 38555;Chlorocholine chloride;(beta-Chloroethyl)trimethylammonium chloride;Chlormequat;Stabilan;Ammonium, (2-chloroethyl)trimethyl-, chloride;Titan;Retacel;(2-Chloroethyl)trimethylammonium chloride;(2-Chloroethyl)-trimethylammonium chloride;Lihocin;Farmacel;Barley mild mosaic virusBarleyquat B;Increcel;Premix;Hormocel-2CCC;2-Chloroethyl trimethyl ammonium chloride;Helstone;2-Chloro-N,N,N-trimethylethanaminium chloride;3-Indolyl-g-butyric acid;

 

Consensus Reports

NTP Carcinogenesis Bioassay (feed); No Evidence: mouse, rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-TR-158 ,1979. . EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Specification

The Chlormequat chloride, with the CAS registry number 999-81-5, is also known as (2-Chloroethyl)trimethylammonium chloride. This chemical's molecular formula is C5H13Cl2N and molecular weight is 215.33. What's more, its systematic name is 2-Chloro-N,N,N-trimethylethanaminium chloride. Its classification codes are: (1)Agricultural Chemical; (2)Growth Substances; (3)Growth regulator / Fertilizer; (4)Human Data; (5)Mutation data; (6)Plant Growth Regulators; (7)Skin / Eye Irritant; (8)Tumor data. Chlormequat is a plant growth regulator used on ornamental plants. It is typically used as the chloride salt, chlormequat chloride, which is listed as an extremely hazardous substance. This chemical is used to prevent cotton, wheat, rice, corn, tomato and root crop being wavy and promote crops growing. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.

Physical properties of Chlormequat chloride are: (1)ACD/LogP: -3.8; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.80; (4)ACD/LogD (pH 7.4): -3.80; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful in contact with skin and if swallowed. It is irritating to eyes and respiratory system.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].ClCC[N+](C)(C)C
(2)Std. InChI: InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
(3)Std. InChIKey: UHZZMRAGKVHANO-UHFFFAOYSA-M 

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - domestic LD50 oral 261mg/kg (261mg/kg)   Pesticide Manual. Vol. 9, Pg. 149, 1991.
cat LD50 oral 7mg/kg (7mg/kg)   Archiv fuer Experimentelle Veterinaermedizin. Vol. 24, Pg. 1049, 1970.
cat LDLo intravenous 1200ug/kg (1.2mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

AUTONOMIC NERVOUS SYSTEM: CENTRAL SYMPATHOLYTIC
Archiv fuer Experimentelle Veterinaermedizin. Vol. 31, Pg. 527, 1977.
chicken LD50 oral 920mg/kg (920mg/kg)   Pesticide Manual. Vol. 9, Pg. 149, 1991.
dog LD50 oral 50mg/kg (50mg/kg)   Archiv fuer Experimentelle Veterinaermedizin. Vol. 24, Pg. 1049, 1970.
human LDLo intravenous 1mg/kg (1mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

AUTONOMIC NERVOUS SYSTEM: CENTRAL SYMPATHOLYTIC
Archiv fuer Experimentelle Veterinaermedizin. Vol. 31, Pg. 527, 1977.
human LDLo oral 10mg/kg (10mg/kg) AUTONOMIC NERVOUS SYSTEM: CENTRAL SYMPATHOLYTIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Archiv fuer Experimentelle Veterinaermedizin. Vol. 31, Pg. 527, 1977.
mammal (species unspecified) LD50 oral 670mg/kg (670mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 104, 1973.
mammal (species unspecified) LD50 skin 440mg/kg (440mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 104, 1973.
mouse LD50 intraperitoneal 62mg/kg (62mg/kg)   Acta Biologica et Medica Germanica. Vol. 27, Pg. 663, 1971.
mouse LD50 intravenous 7mg/kg (7mg/kg) AUTONOMIC NERVOUS SYSTEM: CENTRAL SYMPATHOLYTIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Archiv fuer Experimentelle Veterinaermedizin. Vol. 31, Pg. 527, 1977.
mouse LD50 oral 54mg/kg (54mg/kg)   Acta Biologica et Medica Germanica. Vol. 27, Pg. 663, 1971.
mouse LD50 unreported 560mg/kg (560mg/kg)   Vsesoyuznyi Institut Nauchnoi i Tekhnicheskoi Informatsii Vol. #4758-80,
quail LD50 oral 555mg/kg (555mg/kg)   Pesticide Manual. Vol. 9, Pg. 149, 1991.
rabbit LD50 oral 70mg/kg (70mg/kg)   Archiv fuer Experimentelle Veterinaermedizin. Vol. 31, Pg. 527, 1977.
rabbit LD50 skin 232mg/kg (232mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.
rabbit LDLo intravenous 4mg/kg (4mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

AUTONOMIC NERVOUS SYSTEM: CENTRAL SYMPATHOLYTIC
Archiv fuer Experimentelle Veterinaermedizin. Vol. 31, Pg. 527, 1977.
 
rat LC50 inhalation > 5200mg/m3/4H (5200mg/m3)   Pesticide Manual. Vol. 9, Pg. 149, 1991.
rat LD50 intraperitoneal 64mg/kg (64mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Acta Biologica et Medica Germanica. Vol. 33, Pg. 89, 1974.
rat LD50 intravenous 12500ug/kg (12.5mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

AUTONOMIC NERVOUS SYSTEM: CENTRAL SYMPATHOLYTIC
Archiv fuer Experimentelle Veterinaermedizin. Vol. 31, Pg. 527, 1977.
rat LD50 oral 600mg/kg (600mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(11), Pg. 33, 1971.
rat LD50 skin > 4gm/kg (4000mg/kg)   Pesticide Manual. Vol. 9, Pg. 149, 1991.
rat LD50 unreported 780mg/kg (780mg/kg)   Vsesoyuznyi Institut Nauchnoi i Tekhnicheskoi Informatsii Vol. #4758-80,

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