Name | 4-Fluorobenzaldehyde |
Synonyms | PFBA PFAD JACS-459-57-4 Fluorobenzaldehyde4 p-Fluorobenzaldehyde 4-fluoro-benzaldehyd 4-Fluorobenzaldehyde P-FLUOROBENZALDEHYDE 4-fluoro-Benzaldehyde Paroxetine Impurity 58 Benzaldehyde, p-fluoro Para-Fluorobenzaldehyde Benzaldehyde, p-fluoro- 1-fluoro-4-methoxybenzene Fluorobenzaldehyde colorless liq 4-Fluorobenzaldehyde, p-Fluorobenzaldehyde, Benzaldehyde 4-fluoro-, 4-fluoro-benzaldehyde |
CAS | 459-57-4 |
EINECS | 207-293-6 |
InChI | InChI=1/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3 |
InChIKey | UOQXIWFBQSVDPP-UHFFFAOYSA-N |
Molecular Formula | C7H5FO |
Molar Mass | 124.11 |
Density | 1.157 g/mL at 25 °C (lit.) |
Melting Point | -10 °C (lit.) |
Boling Point | 181 °C/758 mmHg (lit.) |
Flash Point | 134°F |
Water Solubility | IMMISCIBLE |
Solubility | Chloroform, Methanol |
Vapor Presure | 19 hPa (70 °C) |
Appearance | Liquid |
Specific Gravity | 1.157 |
Color | Clear colorless to yellow |
BRN | 385857 |
Storage Condition | Store below +30°C. |
Stability | Air Sensitive |
Sensitive | Air Sensitive |
Refractive Index | n20/D 1.521(lit.) |
Physical and Chemical Properties | Density 1.157 melting point -10°C boiling point 181 ° C (758 mmHg) refractive index 1.5195-1.5215 flash point 56°C water-soluble IMMISCIBLE |
Use | Used as pesticide, pharmaceutical intermediates |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S27 - Take off immediately all contaminated clothing. |
UN IDs | UN 1989 3/PG 3 |
WGK Germany | 2 |
FLUKA BRAND F CODES | 9-23 |
TSCA | T |
HS Code | 29130000 |
Hazard Note | Flammable |
Hazard Class | 3.2 |
Packing Group | III |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
application | p-fluorobenzaldehyde (4-fluorobenzaldehyde) is a very important fine chemical, which has important uses in medicine, pesticides, new materials, polymers, etc. For example, in medicine, important drugs such as flupenol, floperide, rosuvastatin calcium, etc., among which it is used to make rosuvastatin calcium core The key raw material has very important value. |
preparation method | (1) add 110.5g of p-fluorotoluene to 500ml of medium, continuously introduce chlorine into the medium, carry out chlorination reaction, control the reaction progress by GC tracking method, make the content of benzyl monochloride product less than 2%, and the content of benzyl trichloride product less than 10%, (2) add 6.9g of FeCl3 ZnCl2 catalyst, then raise the temperature to 130 ℃, add 1.7ml of water to initiate the reaction for hydrolysis, control the temperature to reflux at 130 ℃, (3) add water drop by drop to the three-mouth flask to completely hydrolyze the benzyl dichloride product, (4) After the reaction is over, adjust the pH value to 8.0~9.0 with a 30% concentration of sodium hydroxide solution, and then let it stand and layer, (5) Add hydrochloric acid with a concentration of 10%, adjust the pH value to 5.0~7.0, add the toluene extraction organic layer, (6) finally spin the solvent, dry the product, and rectify the organic layer to obtain p-fluorobenzaldehyde. The yield of p-fluorobenzaldehyde was 80%. |
use | p-fluorobenzaldehyde is an intermediate for the preparation of 3-phenoxy -4-fluorobenzaldehyde, which can prepare pyrethroids such as cyhalothrin and fluorothrin. Used as an intermediate for pesticides and medicines It is an important intermediate for medicines, dyes and pesticides. In medicine, it is used to manufacture chlorobeterbutyl aluminum salt, chlorobeterbutyl, p-fluorophenoxy isobutyric acid, etc.; in dyes, it is used to prepare weakly acidic light yellow 2G and weakly acidic light yellow 5G, and also used to prepare rice JFF, plant growth regulators, etc. |
Production method | The preparation method is to use p-chlorotoluene as raw material, first fluorinated with potassium fluoride to produce p-fluorotoluene, and then through methyl Chlorination makes it produce 4-fluorobenzene dichloride, and then hydrolyze to obtain p-fluorobenzaldehyde. Or by fluorinating p-chlorobenzaldehyde with potassium fluoride, p-fluorobenzaldehyde is directly obtained. |