4-Chloro-3-nitrobenzonitrile
- CAS NO.：939-80-0
- Empirical Formula: C7H3ClN2O2
- Molecular Weight: 182.56
- MDL number: MFCD00016987
- EINECS: 213-364-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-12-12 13:49:54
What is 4-Chloro-3-nitrobenzonitrile?
Chemical properties
light yellow crystalline powder
The Uses of 4-Chloro-3-nitrobenzonitrile
4-Chloro-3-nitrobenzonitrile may be used in the synthesis of 3-nitro-4-thiocyanobenzonitryl.
General Description
FT-IR and μ-Raman spectra of 4-chloro-3-nitrobenzonitrile have been recorded in the range of 400-4000cm-1 and 100-4000cm-1, respectively. It has been prepred from the reaction of 4-chloro-3-nitrobenzamide and phosphorus oxychloride. Crystal structure of 4-chloro-3-nitrobenzonitrile has been reported. Molecules of 4-chloro-3-nitrobenzonitrile are linked by weak intermolecular C-H…O and C-H…N hydrogen bonds.
Properties of 4-Chloro-3-nitrobenzonitrile
| Melting point: | 98-100 °C (lit.) |
| Boiling point: | 284.8±25.0 °C(Predicted) |
| Density | 1.6133 (rough estimate) |
| refractive index | 1.5557 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| Water Solubility | Slightly soluble in water |
| form | powder to crystal |
| color | White to Light yellow to Green |
| BRN | 1639111 |
| CAS DataBase Reference | 939-80-0(CAS DataBase Reference) |
Safety information for 4-Chloro-3-nitrobenzonitrile
| 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. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 4-Chloro-3-nitrobenzonitrile
| InChIKey | XBLPHYSLHRGMNW-UHFFFAOYSA-N |
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