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Home > Encyclopedia > 2-Chloro-7-nitroquinoxaline

2-Chloro-7-nitroquinoxaline

2-Chloro-7-nitroquinoxaline structure

2-Chloro-7-nitroquinoxaline 

structure
  • CAS No:

    55686-94-7

  • Formula:

    C8H4ClN3O2

  • Chemical Name:

    2-Chloro-7-nitroquinoxaline

  • Synonyms:

    Quinoxaline,2-chloro-7-nitro-;2-Chloro-7-nitroquinoxaline

  • Categories:

    Chemical Reagents  >  Organic Reagents

2-Chloro-7-nitroquinoxaline Basic Attributes

209.59

209.59

DTXSID20398815

2933990090

Characteristics

71.6

2.1

1.6±0.1 g/cm3

188 °C

165.8±26.5 °C

1.700

Safety Information

IRRITANT

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501

H301

|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Chloro-7-nitroquinoxaline Use and Manufacturing

In a round bottom flask, a mixture of 7-nitroquinoxalin-2-ol (3) (12.73 g, 67 mmol) in 20 mL of phosphoryl chloride(POCl3) was refluxed for 3 h. Then, the mixture wasslowly poured into a stirred mixture of ice and water. Theprecipitate was filtrated and washed with water to obtain13.43 g of a red/cherry solid. Yield 96percent; mp 183-186 °C(lit. 185-189 °C);5 ATR/FTIR ν / cm-1 3092, 3048, 1682, 1525, 1350, 740; 1H NMR (200 MHz, DMSO-d6) δ 9.22(s, 1H, H3), 8.88 (d, 1H, J 3.0, H8), 8.59 (dd, 1H, J 2.0, 9.0, H6), 8.39 (d, 1H, J 9.0, H5); 13C NMR (100 MHz, DMSO-d6) δ 149.2, 148.8, 148.3, 142.8, 140.2, 130.9, 124.1, 123.9; DEPT-135 (100 MHz, DMSO-d6) δ 148.8, 130.9, 124.1, 123.9; MS 209.1 + 211.1.

Computed Properties

Molecular Weight:209.59
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Exact Mass:208.9992041
Monoisotopic Mass:208.9992041
Topological Polar Surface Area:71.6
Heavy Atom Count:14
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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