2-Amino-5-chlorobenzonitrile
Synonym(s):5-Chloroanthranilonitrile
- CAS NO.：5922-60-1
- Empirical Formula: C7H5ClN2
- Molecular Weight: 152.58
- MDL number: MFCD00017106
- EINECS: 227-651-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-01-27 09:38:02
What is 2-Amino-5-chlorobenzonitrile?
Chemical properties
white to light beige crystalline needles
The Uses of 2-Amino-5-chlorobenzonitrile
2-Amino-5-chlorobenzonitrile was used to build up the 2,2-dioxide-1H-2,1,3-benzothiadiazine ring system.
Preparation
Synthesis of 2-amino-5-chlorobenzonitrile is reported in the literature by two methods. The first method involves synthesis from 2-aminobenzonitrile, N-chlorosuccinimide an d acetonitrile. The second method involves synthesis from 5-chloroisatin-β-oxime and bis(2-ethylhexyl)phthalate. Both the methods are not feasible commercially as far as the cost and availability of raw materials are concerned.
Synthesis Reference(s)
Synthetic Communications, 20, p. 71, 1990 DOI: 10.1080/00397919008054617
General Description
The vibrational spectra of 2-amino-5-chlorobenzonitrile was studied using density functinal theory.
Properties of 2-Amino-5-chlorobenzonitrile
| Melting point: | 96-99 °C (lit.) |
| Boiling point: | 132-135 °C/0.5 mmHg (lit.) |
| Density | 1.2763 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| Flash point: | >230 °F |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | Chloroform (Slightly), DMSO (Slightly) |
| pka | 1.18±0.10(Predicted) |
| form | Crystalline Needles |
| color | White to light beige |
| CAS DataBase Reference | 5922-60-1(CAS DataBase Reference) |
| EPA Substance Registry System | Benzonitrile, 2-amino-5-chloro- (5922-60-1) |
Safety information for 2-Amino-5-chlorobenzonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-Amino-5-chlorobenzonitrile
2-Amino-5-chlorobenzonitrile manufacturer
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