Product Introduction
| 4-Chlorobenzonitrile Basic information |
| Product Name: | 4-Chlorobenzonitrile |
| Synonyms: | 4-CYANOCHLOROBENZENE;4-CHLOROBENZONITRILE;AKOS B004081;LABOTEST-BB LT01147713;PCBN;P-CHLOROBENZONITRILE;P-CHLORBENZONITRILE;4-chloro-benzonitril |
| CAS: | 623-03-0 |
| MF: | C7H4ClN |
| MW: | 137.57 |
| EINECS: | 210-765-4 |
| Product Categories: | Pesticides intermediate;cyanide| alkyl chloride;Benzonitriles (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Cyanides/Nitriles;Nitrogen Compounds;Aromatic Nitriles;Nitriles;Functional Materials;C6 to C7 |
| Mol File: | 623-03-0.mol |
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| 4-Chlorobenzonitrile Chemical Properties |
| 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) |
| Fp | 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 |
| InChIKey | GJNGXPDXRVXSEH-UHFFFAOYSA-N |
| LogP | 2.47 at 20℃ |
| 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 |
| Hazard Codes | Xn |
| Risk Statements | 20/22-36/37/38 |
| Safety Statements | 23-26-36 |
| RIDADR | 3439 |
| WGK Germany | 2 |
| RTECS | DI2800000 |
| Hazard Note | Harmful |
| TSCA | Yes |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29269095 |
| MSDS Information |
| Provider | Language |
|---|---|
| 4-Chlorobenzonitrile | English |
| ACROS | English |
| SigmaAldrich | English |
| ALFA | English |
| 4-Chlorobenzonitrile Usage And Synthesis |
| 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. |
| Uses | 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 |
| 4-Chlorobenzonitrile Preparation Products And Raw materials |
| Preparation Products | 4-CHLORO-2-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZONITRILE-->4-Piperazinobenzonitrile-->4-CHLOROBENZAMIDINE HYDROIODIDE-->4-Chlorobenzene-1-carboximidamide hydrochloride-->4,4'-Oxybisbenzoic acid-->Pigment Red 254-->2-(4-chlorophenyl)-3-oxovaleronitrile-->4-N-BUTOXYBENZONITRILE-->3-(4-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER-->TERT-BUTYL 4-CYANOPHENYLCARBAMATE-->4-CYANOTHIOPHENOL-->4-ETHOXYBENZONITRILE-->4,4'-BIPHENYLDICARBONITRILE-->4-CHLORO-3-(TRIFLUOROMETHYL)BENZONITRILE-->3-BROMO-4-CHLOROBENZONITRILE-->4'-Hydroxy-4-biphenylcarbonitrile-->4-CYANOBENZENESULFONYL CHLORIDE 97 |
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