CAS No.1702-17-6,Clopyralid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1702-17-6
Name:	Clopyralid
Article Data:	13

Formula:	C₆H₃Cl₂NO₂
Molecular Weight:	192.001
Synonyms:	Picolinicacid, 3,6-dichloro- (7CI,8CI);3,6-Dichloro-2-pyridinecarboxylic acid;3,6-Dichloropicolinic acid;Cirtoxin;Dichloro pyridine acid;Dowco 290;IWD 3523;Lontrel;Lontrel 100;Lontrel 300;Lontrel L;Matrigon;Transline;Versatill;
EINECS:	216-935-4
Density:	1.612 g/cm³
Melting Point:	151-152 °C
Boiling Point:	323.718 °C at 760 mmHg
Flash Point:	149.579 °C
Solubility:	1.0 g/L in water
Appearance:	white crystalline solid
Hazard Symbols:	Xi,N
Risk Codes:	41-51/53
Safety:	26-30-61-39
Transport Information:	UN 3077
PSA:	50.19000
LogP:	2.08660

Synthetic route

: 1702-18-7
3,6-dichloro-2-pyridinecarbonitrile

: 1702-17-6
Clopyralid

Conditions

Conditions	Yield
With ethanol; sodium hydroxide Reflux;	94.8%
With sodium carbonate In sulfuric acid; water	86.6%

: 16110-09-1
2,5 dichloropyridine

: 124-38-9
carbon dioxide

: 1702-17-6
Clopyralid

Conditions

Conditions	Yield
Stage #1: 2,5 dichloropyridine With tert.-butyl lithium In diethyl ether; pentane at -75℃; for 2h; Stage #2: carbon dioxide at -78℃;	58%

: 32889-74-0
3,5,6-trichloro-4-hydrazinopicolinic acid

: 1702-17-6
Clopyralid

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide In dichloromethane; water

: 10469-09-7
3,4,5,6-tetrachloropyridinecarboxylic acid

: 1702-17-6
Clopyralid

Conditions

Conditions	Yield
With sodium hydroxide In water at 24.84℃; Mechanism; Electrochemical reaction;

: 6515-09-9
2,3,6-trichloropyridine

: 1702-17-6
Clopyralid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: acetic acid; molybdenum(VI) oxide; dihydrogen peroxide / 80 °C 2: N,N-dimethyl-formamide / 80 - 90 °C 3: trichlorophosphate / 75 °C 4: sodium hydroxide; ethanol / Reflux View Scheme

: 2,3,6-trichloropyridine-1-oxide

: 1702-17-6
Clopyralid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: N,N-dimethyl-formamide / 80 - 90 °C 2: trichlorophosphate / 75 °C 3: sodium hydroxide; ethanol / Reflux View Scheme

: 64-17-5
ethanol

: 1702-17-6
Clopyralid

: ethyl 3,6-dichloropyridine-2-carboxylate

Conditions

Conditions	Yield
With thionyl chloride at 0 - 90℃; for 2h;	100%
With thionyl chloride at 0 - 90℃;	100%
With sulfuric acid for 2h; Reflux;	83.6%

: 1702-17-6
Clopyralid

: 75-65-0
tert-butyl alcohol

: 211122-64-4
tert-butyl 3,6-dichloro-2-pyridinecarboxylate

Conditions

Conditions	Yield
With pyridine; p-toluenesulfonyl chloride at 0 - 20℃;	98%
Stage #1: Clopyralid; tert-butyl alcohol With sulfuric acid; magnesium sulfate In dichloromethane at 20℃; for 15.3333h; Stage #2: With sodium carbonate In dichloromethane; water at 0℃;	66%

: 109-01-3
1-methyl-piperazine

: 1702-17-6
Clopyralid

: 503555-19-9
potassium 3-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate

Conditions

Conditions	Yield
Stage #1: 1-methyl-piperazine; Clopyralid In N,N-dimethyl acetamide at 95℃; for 72h; Stage #2: With potassium carbonate Saturated solution;	96%

: C22H37ClNO3(1+)*Br(1-)

: 1702-17-6
Clopyralid

: C22H37ClNO3(1+)*C6H2Cl2NO2(1-)

Conditions

Conditions	Yield
Stage #1: Clopyralid With sodium hydroxide In water Heating; Stage #2: C22H37ClNO3(1+)*Br(1-) In water; isopropyl alcohol	96%

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Specification

The 3,6-Dichloro-2-pyridinecarboxylic acid, with the CAS registry number 1702-17-6, is also known as . It belongs to the product categories of Pharmacetical; rganic acids; Agro Products; Herbicide; Agro-Products; Heterocycles; Alphabetic; Analytical Standards. Its EINECS registry number is 216-935-4. Its IUPAC name is called 3,6-dichloropyridine-2-carboxylic acid. This chemcial is white crystalline solid which can be used as systemic post-emergence herbicide for use in food crops and mesquite. In addition, its classification codes are Agricultural Chemical; Herbicide; Reproductive Effect.

Physical properties of 3,6-Dichloro-2-pyridinecarboxylic acid: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.606; (11)Molar Refractivity: 41.064 cm³; (12)Molar Volume: 119.088 cm³; (13)Surface Tension: 62.834 dyne/cm; (14)Density: 1.612 g/cm³; (15)Melting Point: 151-152 °C; (16)Flash Point: 149.579 °C; (17)Enthalpy of Vaporization: 59.716 kJ/mol; (18)Boiling Point: 323.718 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,5-dichloro-pyridine and carbon dioxide. This reaction will need reagent tert-butyllithium and solvent pentane, diethyl ether. The reaction time is 2 hours with reaction temperature of -75--78 ℃. The yield is about 58%.

Uses of 3,6-Dichloro-2-pyridinecarboxylic acid: it can be used to produce 3,6-bis-methylsulfanyl-pyridine-2-carboxylic acid at temperature of 130-135 °C. This reaction will need solvent dimethylsulfoxide with reaction time of 2 hours. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may present an immediate or delayed danger to one or more components of the environment. There will be a risk of serious damage to eyes when you will contact it. It is toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should never add water to this product. Whenever you will contact it, please wear eye/face protection. You should avoid releasing it to the environment. When you will use it, please refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=NC(=C1Cl)C(=O)O)Cl
(2)InChI: InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
(3)InChIKey: HUBANNPOLNYSAD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
duck	LD50	oral	1465mg/kg (1465mg/kg)	Pesticide Manual. Vol. 9, Pg. 182, 1991.
mouse	LD50	oral	> 5gm/kg (5000mg/kg)	Defense des Vegetaux. Vol. 31, Pg. 387, 1977.
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)	Defense des Vegetaux. Vol. 31, Pg. 387, 1977.
rat	LD50	intraperitoneal	900mg/kg (900mg/kg)	Defense des Vegetaux. Vol. 31, Pg. 387, 1977.
rat	LD50	oral	4300mg/kg (4300mg/kg)	"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A433, Pg. 1985,