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39267-05-5

39267-05-5 Structure

39267-05-5 Structure
IdentificationBack Directory
[Name]

2,3-DICHLORO-6-METHYLQUINOXALINE
[CAS]

39267-05-5
[Synonyms]

2,3-DICHLORO-6-METHYLQUINOXALINE
2,4-dichloro-6-methyl quinoxaline
Quinoxaline, 2,3-dichloro-6-Methyl-
[Molecular Formula]

C9H6Cl2N2
[MDL Number]

MFCD00270819
[MOL File]

39267-05-5.mol
[Molecular Weight]

213.06
Chemical PropertiesBack Directory
[Melting point ]

115 °C
[Boiling point ]

289.1±35.0 °C(Predicted)
[density ]

1.418±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

powder to crystaline
[pka]

-4.59±0.48(Predicted)
[color ]

White to Light yellow
[InChI]

1S/C9H6Cl2N2/c1-5-2-3-6-7(4-5)13-9(11)8(10)12-6/h2-4H,1H3
[InChIKey]

UWSAFTDEEVGSAC-UHFFFAOYSA-N
[SMILES]

Cc1ccc2nc(Cl)c(Cl)nc2c1
Safety DataBack Directory
[Hazard Codes ]

Xi,N,Xn
[Risk Statements ]

22-41-51
[Safety Statements ]

53-26-39-61
[WGK Germany ]

2
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-DICHLORO-6-METHYLQUINOXALINE(39267-05-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

1,4-DIHYDRO-6-METHYLQUINOXALINE-2,3-DIONE

6309-61-1

2,3-DICHLORO-6-METHYLQUINOXALINE

39267-05-5

GENERAL METHOD: N,N-dimethylformamide (0.5 mg, 0.0673 mmol) was slowly added dropwise to a suspension of 1-chlorobutane (20 mL) containing 2,3-dihydroxy-6-methylquinoxaline (2.0 g, 12.3 mmol) and thionyl chloride (2.92 g, 24.6 mmol). The reaction mixture was heated to reflux for 1 hour. After completion of the reaction, it was cooled to room temperature and the resulting needle-like crystals were collected by filtration, washed with ether and subsequently dried.

[References]

[1] Revue Roumaine de Chimie, 2017, vol. 62, # 12, p. 903 - 906
[2] Journal of Heterocyclic Chemistry, 2009, vol. 46, # 2, p. 317 - 319
[3] Pesticide Science, 1995, vol. 43, # 4, p. 263 - 266
[4] Monatshefte fur Chemie, 2010, vol. 141, # 10, p. 1145 - 1151
[5] Journal of Molecular Structure, 2017, vol. 1139, p. 238 - 246
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