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Paraquat

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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 Molecular Structure of 4685-14-7 (Paraquat) Hazard Symbols ToxicT
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 Synthetic route

4685-14-7

paraquat radical

Conditions
ConditionsYield
With ethylenediaminetetraacetic acid; dihydroxytin(IV) uroporphyrin I Quantum yield; Irradiation; triethanoilamine as electron donor; photoreduction of methylviologen sensitized by dihydroxytin(IV) uroporphyrin, pH dependence;

Paraquat Specification

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.

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