| Identification | Back Directory | [Name]
3-AMINO-5-CHLORO-BENZONITRILE | [CAS]
53312-78-0 | [Synonyms]
3-Chloro-5-cyanoaniline
3-Chloro-5-cyanoanisole
5-Cyano-3-chloroaniline
5-Amino-3-chlorobenzonitrile
3-AMINO-5-CHLORO-BENZONITRILE
Benzonitrile, 3-aMino-5-chloro-
3-Amino-5-chlorobenzonitrile 97% | [Molecular Formula]
C7H5ClN2 | [MDL Number]
MFCD06797224 | [MOL File]
53312-78-0.mol | [Molecular Weight]
152.58 |
| Chemical Properties | Back Directory | [Boiling point ]
309.0±22.0 °C(Predicted) | [density ]
1.33 | [storage temp. ]
2-8°C, protect from light | [form ]
Powder | [pka]
1.73±0.10(Predicted) | [Appearance]
Off-white to light yellow Solid |
| Hazard Information | Back Directory | [Synthesis]
The general procedure for the synthesis of 3-amino-5-chlorobenzonitrile from 3-chloro-5-nitrobenzonitrile was as follows: 3-chloro-5-nitrobenzonitrile was dissolved in DMF at room temperature, and 6 equivalents of SnCl2-2H2O was added, and the reaction was carried out overnight for reduction. After completion of the reaction, the target product was purified by silica gel column chromatography in 40% yield. LCMS analysis of the product (Condition A) showed a retention time of 1.61 min and a molecular ion peak [M+H]+ of 153.1.1 The 1H NMR (500 MHz, CDCl3) data were as follows: δ 6.97 (s, 1H), 6.84 (t, J = 2.0 Hz, 1H), 6.77 (s, 1H). | [References]
[1] Patent: US2006/287287, 2006, A1. Location in patent: Page/Page column 17-18 |
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