Benzonitrile, p-fluoro- (6CI,7CI,8CI)
4-fluorobenzonitrile
CAS: 1194-02-1
Molecular Formula: C7H4FN
Benzonitrile, p-fluoro- (6CI,7CI,8CI) - Names and Identifiers
| Name | 4-fluorobenzonitrile |
| Synonyms | PFBN P-Fluorobenzonitile P-FLUOROBENZONITRILE p-Fluorobenzonitrile p-Cyanofluorobenzene p-fluoro-benzonitril 4-fluorobenzonitrile 4-fluoro-benzonitril For fluorobenzonitrile p-Fluorophenyl cyanide Benzonitrile, p-fluoro- The fluorine benzene nitriles Benzonitrile, p-fluoro- (6CI,7CI,8CI) |
| CAS | 1194-02-1 |
| EINECS | 214-784-9 |
| InChI | InChI=1/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H |
| InChIKey | AEKVBBNGWBBYLL-UHFFFAOYSA-N |
Benzonitrile, p-fluoro- (6CI,7CI,8CI) - Physico-chemical Properties
| Molecular Formula | C7H4FN |
| Molar Mass | 121.11 |
| Density | 1.1070 |
| Melting Point | 32-34 °C (lit.) |
| Boling Point | 188 °C/750 mmHg (lit.) |
| Flash Point | 150°F |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 0.564mmHg at 25°C |
| Appearance | Crystalline Low Melting Solid |
| Color | White |
| Exposure Limit | NIOSH: IDLH 25 mg/m3 |
| BRN | 2041517 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4925 |
| Physical and Chemical Properties | Melting point 35-37 ° C, white crystals. |
| Use | Used as pesticide, pharmaceutical intermediates |
Benzonitrile, p-fluoro- (6CI,7CI,8CI) - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN 1325 4.1/PG 2 |
| WGK Germany | 3 |
| RTECS | DI4368500 |
| TSCA | T |
| HS Code | 29269095 |
| Hazard Note | Toxic |
| Hazard Class | 6.1 |
| Packing Group | III |
Benzonitrile, p-fluoro- (6CI,7CI,8CI) - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | p-fluorobenzonitrile, also known as 4-fluorobenzonitrile, is a pharmaceutical intermediate, it has been reported in the literature that it can be used for the preparation of afatinib. Afatinib dimaleate was approved in the United States in 2013 for the treatment of metastatic non-small cell lung cancer (NSCLC) with epidermal growth factor receptor (EGFR) exon 19 deletion or exon 21(L858R) replacement mutation treatment. |
| Use | intermediate of medicine and pesticide. used as pesticide and pharmaceutical intermediates |
Last Update：2024-04-09 02:00:04
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