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6515-09-9

6515-09-9 Structure

6515-09-9 Structure
IdentificationBack Directory
[Name]

2,3,6-TRICHLOROPYRIDINE
[CAS]

6515-09-9
[Synonyms]

2,3,6-TrichL
2,5,6-Trichloropyridine
Pyridine,2,3,6-trichloro
2,6-Dichloro-3-chloropyridine
2,3,6-TRICHLOROPYRIDINE ISO 9001:2015 REACH
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C5H2Cl3N
[MDL Number]

MFCD00463516
[MOL File]

6515-09-9.mol
[Molecular Weight]

182.44
Chemical PropertiesBack Directory
[Melting point ]

66-67 °C
[Boiling point ]

300.44°C (rough estimate)
[density ]

1.8041 (rough estimate)
[refractive index ]

1.6300 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

-3.79±0.10(Predicted)
[color ]

Light yellow to Brown
[InChI]

InChI=1S/C5H2Cl3N/c6-3-1-2-4(7)9-5(3)8/h1-2H
[InChIKey]

GPAKJVMKNDXBHH-UHFFFAOYSA-N
[SMILES]

C1(Cl)=NC(Cl)=CC=C1Cl
[EPA Substance Registry System]

2,3,6-Trichloropyridine (6515-09-9)
Safety DataBack Directory
[HS Code ]

2933399990
[Toxicity]

LD50 ipr-mus: 150 mg/kg TXAPA9 11,361,67
Hazard InformationBack Directory
[Uses]

2,3,6-Trichloropyridine can be used as a catalyst for various compounds, such as, 2,3-dichloropyridine. This compound can also be used as an intermediate in chemosynthesis.
[Safety Profile]

A poison by intraperitoneal route.When heated to decomposition it emits toxic vapors ofNOx and Clí.
[Synthesis]

2,6-Dichloropyridine

2402-78-0

2,3,6-TRICHLOROPYRIDINE

6515-09-9

The general procedure for the synthesis of 2,3,6-trichloropyridine from 2,6-dichloropyridine was as follows: 2,6-dichloropyridine 1480.0 g and anhydrous FeCl3 89.2 g were accurately weighed, mixed thoroughly and transferred to a 2000 mL four-neck flask. The reaction mixture was heated to 100-120 °C and then chlorine gas was slowly introduced until the reaction was complete. Upon completion of the reaction, the system was cooled to 100 °C and subsequently subjected to decompression distillation. Fractions with boiling points of 118-124°C were collected as products at a pressure of -12.8 MPa. The low concentration of distillate produced during the distillation process can be recycled for the next batch of reaction. Eventually, 1715.0 g of 2,3,6-trichloropyridine was obtained by recycling the distillate in 94.0% yield, and the purity of the product was in accordance with the requirements.

[References]

[1] Patent: EP2687510, 2014, A1. Location in patent: Paragraph 0011
[2] Patent: CN107759512, 2018, A. Location in patent: Paragraph 0021-0022
Spectrum DetailBack Directory
[Spectrum Detail]

2,3,6-TRICHLOROPYRIDINE(6515-09-9)1HNMR
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