CAS No.4685-14-7,Paraquat Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4685-14-7
Name:	Paraquat
Article Data:	38

Formula:	C₁₂H₁₄N₂
Molecular Weight:	186.257
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;
EINECS:	225-141-7
Density:	0.9748 (rough estimate)
Melting Point:	300 °C (decomp)
Boiling Point:	310.75°C (rough estimate)
Appearance:	off-white powder
Hazard Symbols:	T
Risk Codes:	26/27/28
Safety:	1-13-45
Transport Information:	UN 2781
PSA:	7.76000
LogP:	1.00260

Synthetic route

: 4685-14-7, 25128-26-1
Paraquat

: 4685-14-7
paraquat radical

Conditions

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;

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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.