4-Chlorobenzonitrile
- CAS NO.：623-03-0
- Empirical Formula: C7H4ClN
- Molecular Weight: 137.57
- MDL number: MFCD00001813
- EINECS: 210-765-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is 4-Chlorobenzonitrile ?
Chemical properties
4-Chlorobenzonitrile [623-03-0], 4- chloro-1-cyanobenzene, Cl – C6H4 – CN, Mr 137.6, mp 97℃, forms colorless crystals that can be sublimed. The compound is steam volatile, readily soluble in organic solvents, and only sparingly soluble in water. 4-Chlorobenzonitrile is produced industrially by the ammoxidation of 4-chlorotoluene. It is used in the synthesis of a red pigment for plastics.
The Uses of 4-Chlorobenzonitrile
4-Chlorobenzonitrile is used to prepare a red pigment for plastics. It is also used in the preparation of amides in organic synthesis. Further, it is used as an intermediate of dye and active pharmaceutical ingredients.
Definition
ChEBI: 4-Chlorobenzonitrile is a member of benzenes and a nitrile.
Synthesis Reference(s)
The Journal of Organic Chemistry, 23, p. 1350, 1958 DOI: 10.1021/jo01103a031
Synthetic Communications, 19, p. 1431, 1989 DOI: 10.1080/00397918908054553
Tetrahedron Letters, 31, p. 1063, 1990 DOI: 10.1016/S0040-4039(00)94431-9
Flammability and Explosibility
Non flammable
Preparation
4-Chlorobenzonitrile is produced industrially by ammoxidation of 4-chlorotoluene.
Properties of 4-Chlorobenzonitrile
| Melting point: | 90-93 °C(lit.) |
| Boiling point: | 223 °C(lit.) |
| Density | 1,2 g/cm3 |
| vapor pressure | 6.67hPa at 80.4℃ |
| refractive index | 1.4530 (estimate) |
| Flash point: | 108 °C |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 0.245g/l practically insoluble |
| form | Flakes or Chunks |
| color | White to yellow |
| Water Solubility | insoluble |
| BRN | 1072122 |
| CAS DataBase Reference | 623-03-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Chlorobenzoic acid nitrile(623-03-0) |
| EPA Substance Registry System | 4-Chlorobenzonitrile (623-03-0) |
Safety information for 4-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. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. 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-Chlorobenzonitrile
| InChIKey | GJNGXPDXRVXSEH-UHFFFAOYSA-N |
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