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CAS No.: | 999-81-5 |
---|---|
Name: | Chlormequat chloride |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C5H13Cl2N |
Molecular Weight: | 158.071 |
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; |
EINECS: | 213-666-4 |
Density: | 1.2228 (rough estimate) |
Melting Point: | 239-243 °C (dec.)(lit.) |
Boiling Point: | 260.3°C (rough estimate) |
Solubility: | Soluble in water. Insoluble in benzene, xylene, anhydrous ethanol. Soluble in propanol |
Appearance: | White crystal powder, with fish odor |
Hazard Symbols: | Xn |
Risk Codes: | 21/22 |
Safety: | 36/37 |
Transport Information: | UN 2811 6.1/PG 3 |
PSA: | 0.00000 |
LogP: | -2.06460 |
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, |