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Name |
Paraquat |
EINECS | 225-141-7 |
CAS No. | 4685-14-7 | Density | 0.9748 (rough estimate) |
PSA | 7.76000 | LogP | 1.00260 |
Solubility | N/A | Melting Point |
300 °C (decomp) |
Formula | C12H14N2 | Boiling Point | 310.75°C (rough estimate) |
Molecular Weight | 186.257 | Flash Point | N/A |
Transport Information | UN 2781 | Appearance | off-white powder |
Safety | 1-13-45 | Risk Codes | 26/27/28 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
1,1'-Dimethyl-4,4'-bipyridinium;1,1'-Dimethyl-4,4'-bipyridinium cation;Dimethyl viologen;Methyl viologendication;Methyl viologen ion(2+);Methyl viologen(2+);N,N'-Dimethyl-4,4'-bipyridinium;N,N'-Dimethyl-4,4'-bipyridinium dication;Paraquat dication;Paraquat ion;Spraytop-graze;Starfire;Paraquat dichloride; |
Article Data | 38 |
Paraquat
paraquat radical
Conditions | Yield |
---|---|
With ethylenediaminetetraacetic acid; dihydroxytin(IV) uroporphyrin I Quantum yield; Irradiation; triethanoilamine as electron donor; photoreduction of methylviologen sensitized by dihydroxytin(IV) uroporphyrin, pH dependence; |
The 4,4'-Bipyridinium,1,1'-dimethyl- is an organic compound with the formula C12H14N2. The IUPAC name of this chemical is 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium. With the CAS registry number 4685-14-7, it is also named as Gramoxone. The product's category is Pesticide & Intermediate. Besides, it is the herbicide which is widely used in rubber, bananas, sugar cane, fruit orchards, farmland, etc.
Physical properties about 4,4'-Bipyridinium,1,1'-dimethyl- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 2; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 7.76 Å2.
Preparation: this chemical can be prepared by Pyridine, magnesium and TCA. This reaction will need catalyst NaH2PO4 and disodium EDTA.
When you are using this chemical, please be cautious about it as the following:
It is very toxic by inhalation, in contact with skin and if swallowed. Please keep locked up and keep away from food, drink and animal feeding stuffs. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: C[n+]1ccc(cc1)c2cc[n+](cc2)C
(2)InChI: InChI=1/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
(3)InChIKey: INFDPOAKFNIJBF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
(5)Std. InChIKey: INFDPOAKFNIJBF-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LD50 | oral | 35mg/kg (35mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 520, 1979. | |
chicken | LD50 | oral | 262mg/kg (262mg/kg) | Pesticide Manual. Vol. 9, Pg. 646, 1991. | |
dog | LD50 | oral | 25mg/kg (25mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 520, 1979. | |
guinea pig | LD50 | oral | 30mg/kg (30mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 520, 1979. | |
mammal (species unspecified) | LD50 | oral | 70mg/kg (70mg/kg) | Pesticide Manual. Vol. 9, Pg. 646, 1991. | |
man | LDLo | oral | 171mg/kg (171mg/kg) | LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)" GASTROINTESTINAL: CHANGE IN STRUCTURE OR FUNCTION OF ESOPHAGUS GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH | Journal of Toxicology, Clinical Toxicology. Vol. 26, Pg. 35, 1988. |
man | LDLo | oral | 200mg/kg (200mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED | Medical Journal of Australia. Vol. 158, Pg. 28, 1993. |
man | LDLo | oral | 343mg/kg (343mg/kg) | GASTROINTESTINAL: CHANGE IN STRUCTURE OR FUNCTION OF ESOPHAGUS KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH | Journal of Toxicology, Clinical Toxicology. Vol. 26, Pg. 35, 1988. |
man | LDLo | oral | 1690mg/kg (1690mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED | Journal of Toxicology, Clinical Toxicology. Vol. 26, Pg. 35, 1988. |
mouse | LD50 | oral | 120mg/kg (120mg/kg) | General Pharmacology. Vol. 14, Pg. 541, 1983. | |
mouse | LD50 | unreported | 198mg/kg (198mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 17, Pg. 37, 1978. |
rabbit | LD50 | skin | 236mg/kg (236mg/kg) | Pesticide Manual. Vol. 9, Pg. 646, 1991. | |
rat | LD50 | intraperitoneal | 14800ug/kg (14.8mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LIVER: OTHER CHANGES GASTROINTESTINAL: OTHER CHANGES | Veterinary and Human Toxicology. Vol. 22, Pg. 395, 1980. |
rat | LD50 | oral | 100mg/kg (100mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 520, 1979. | |
rat | LD50 | unreported | 250mg/kg (250mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 17, Pg. 37, 1978. |