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Home > Encyclopedia > 2-AMINO-6-NITROBENZONITRILE

2-AMINO-6-NITROBENZONITRILE

2-AMINO-6-NITROBENZONITRILE structure

2-AMINO-6-NITROBENZONITRILE 

structure
  • CAS No:

    63365-23-1

  • Formula:

    C7H5N3O2

  • Chemical Name:

    2-AMINO-6-NITROBENZONITRILE

  • Synonyms:

    2-amino-6-nitrobenzonitrile;Benzonitrile, 2-amino-6-nitro-;2-amino-6-nitro-benzonitrile;SCHEMBL2413571;CTK5B8828;DTXSID80507805;MFCD08236739;ZINC38540047;AKOS006284750;AB43894

2-AMINO-6-NITROBENZONITRILE Basic Attributes

163.13

163.03800

DTXSID80507805

2926909090

Characteristics

95.6

1.7

1.41g/cm3

192-196 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))

410°C at 760 mmHg

201.7ºC

1.626

Safety Information

3439

20/21/22-36/37/38

26-36/37/39

2-AMINO-6-NITROBENZONITRILE Use and Manufacturing

2-amino-6-nitrobenzonitrile is obtained by iron reduction of 2, 6-dinitrobenzonitrile in a manner similar to example 9, m.p. 195-197 C. Anal. Calcd. for C7 H5 N3 O2: C, 51.54; H, 3.09; N, 25.76. Found: C, 50.94; H, 2.98; N, 25.66.Concentrated hydrochloric acid (1.5mL) was added dropwise to a refluxing solution of2, 6-dinitrobenzonitrile (500mg) in methanol (lOmL) and dioxane (6.5mL). To this wasadded iron powder (467mg) portionwise. After refluxing for 30 minutes, the reactionmixture was cooled and reduced in vacuo. The residue was triturated with water to yield(3-Nitro-2-cyanophenylamino)oxoacetic acid ethyl ester is prepared by condensing Preparation of 2-(acetoxyacetylamino)-6-nitrobenzonitrile: A solution of EXAMPLE XIV 9-Amino 6-nitro, 1, 2, 3, 4-tetrahydroacridine To a stirred solution of cyclohexene-4-one, 1.0 g. 10.0 mmole in methylene chloride (10 ml) at -20 C., a 1M solution of titanium(IV) chloride in methylene chloride (20 ml) was added. The reaction mixture became dark yellow in color and to it a mixture of triethylamine (2.0 g, 20 mmole)

Computed Properties

Molecular Weight:163.13
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:163.038176411
Monoisotopic Mass:163.038176411
Topological Polar Surface Area:95.6
Heavy Atom Count:12
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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