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99512-10-4

99512-10-4 Structure

99512-10-4 Structure
IdentificationBack Directory
[Name]

Benzonitrile, 3-amino-4-nitro-
[CAS]

99512-10-4
[Synonyms]

3-amino-4-nitrobenzonitrile
Benzonitrile, 3-amino-4-nitro-
[Molecular Formula]

C7H5N3O2
[MDL Number]

MFCD18389919
[MOL File]

99512-10-4.mol
[Molecular Weight]

163.13
Chemical PropertiesBack Directory
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[Appearance]

Yellow to orange Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[RIDADR ]

3439
[HazardClass ]

6.1
[PackingGroup ]

Spectrum DetailBack Directory
[Spectrum Detail]

Benzonitrile, 3-amino-4-nitro-(99512-10-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

5-Chloro-2-nitroaniline

1635-61-6

Benzonitrile,  3-amino-4-nitro-

99512-10-4

5-Chloro-2-nitroaniline (6.902 g, 40 mmol) was used as a raw material and mixed with Zn(CN)2 (2.818 g, 24 mmol) and Pd(PPh3)4 (2.311 g, 2 mmol) in DMF (40 mL). The reaction mixture was heated to 120 °C for 4 days. After completion of the reaction, it was cooled to room temperature. The reaction mixture was partitioned between ethyl acetate and water. The organic layer was separated, washed with brine, dried (MgSO4), filtered, and concentrated under vacuum. The residue was purified by fast column chromatography on silica gel using 4:1 hexane/ethyl acetate as eluent to give 1.49 g (23% yield) of 3-amino-4-nitrobenzonitrile.

[References]

[1] Patent: WO2004/76424, 2004, A1. Location in patent: Page 268
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