氟代苯
Fluorobenzene
CAS: 462-06-6
Molecular Formula: C6H5F
氟代苯 - Names and Identifiers
| Name | Fluorobenzene |
| Synonyms | FLUOROBENZENE Fluorobenzene fluoro benzene Fluorobenzenes Phenyl Fluoride Fluorine benzene monofluorobenzene FLUOROBENZENE FOR SYNTHESIS 5 ML FLUOROBENZENE FOR SYNTHESIS 250 ML |
| CAS | 462-06-6 |
| EINECS | 207-321-7 |
| InChI | InChI=1/C6H5F/c7-6-4-2-1-3-5-6/h1-5H |
| InChIKey | PYLWMHQQBFSUBP-UHFFFAOYSA-N |
氟代苯 - Physico-chemical Properties
| Molecular Formula | C6H5F |
| Molar Mass | 96.1 |
| Density | 1.024g/mLat 25°C(lit.) |
| Melting Point | -42 °C |
| Boling Point | 85°C(lit.) |
| Flash Point | 9°F |
| Water Solubility | INSOLUBLE |
| Solubility | 1.54g/l |
| Vapor Presure | 81hPa at 20℃ |
| Vapor Density | 3.31 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 1.024 |
| Color | Clear colorless |
| Merck | 14,4170 |
| BRN | 1236623 |
| Storage Condition | 2-8°C |
| Stability | Stable. Incompatible with oxidizing agents. Highly flammable - note low flash point. |
| Explosive Limit | 1.3-8.9%(V) |
| Refractive Index | n20/D 1.465(lit.) |
| Physical and Chemical Properties | Colorless liquid. Has a similar odor to benzene. |
| Use | It is mainly used for the preparation of antipsychotic drugs such as flumbutol, also used as pesticides, and used for the identification of plastics and resin polymers |
氟代苯 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R11 - Highly Flammable R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R36 - Irritating to the eyes |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S7 - Keep container tightly closed. S33 - Take precautionary measures against static discharges. S29 - Do not empty into drains. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S7/9 - |
| UN IDs | UN 2387 3/PG 2 |
| WGK Germany | 2 |
| RTECS | DA0800000 |
| TSCA | T |
| HS Code | 29039990 |
| Hazard Note | Flammable |
| Hazard Class | 3 |
| Packing Group | II |
氟代苯 - Upstream Downstream Industry
| Raw Materials | Aniline Hydrofluoric Acid Sodium nitrite |
| Downstream Products | 4,4'-Difluorobenzophenone 2,4-Dichlorofluorobenzene flunarizine dihydrochloride Penfluridol |
氟代苯 - Nature
Open Data Verified Data
colorless liquid. Has a similar odor to benzene. Boiling point 85.2 °c. Melting Point -41.2 °c. The relative density was 1. 0225. Refractive index 4684. Flash point -12. 78 °c. Soluble in ether, alcohol, insoluble in water
Last Update：2024-01-02 23:10:35
氟代苯 - Preparation Method
Open Data Verified Data
- aniline was used as raw material, which was obtained by Scheman reaction. Aniline was salified with 31% hydrochloric acid, then cooled to -8 °c, and sodium nitrite solution was added for diazotization. The diazo liquid is cooled to -10 ℃, fluoroboric acid solution is added, the diazobenzene fluoroborate crystal is filtered out, dried, pyrolyzed and distilled to obtain the finished product, and the total yield is 53%. This method consumes a lot of boric acid, waste gas, high cost.
- The diazo compound solution was maintained at 40 ° C. Or lower by the action of dry sodium nitrite and aniline in anhydrous hydrogen fluoride. The yield was 80%. The advantages of this method are low cost and less exhaust gas.
- trifluoroacetic anhydride method trifluoroacetic anhydride and cyclohexane as raw materials, through the addition reaction, and then reaction with hydrogen fluoride to produce 1,1-fluorocyclohexane and trifluoroacetic acid; 1,1-fluorine cyclohexane After dehydrogenation, dehydrofluorination, that is, fluorobenzene.
Last Update：2022-01-01 10:40:24
氟代苯 - Use
Open Data Verified Data
It is mainly used for the preparation of antipsychotic drugs, such as fluorobutanol and daphere. Also used for pesticides, and for the identification of plastics and resin polymers.
Last Update：2022-01-01 10:40:23
氟代苯 - Safety
Open Data Verified Data
- This product is toxic, the maximum allowable concentration in the air is 2. 5mg/m3, the operation place should be well ventilated, the operator should wear protective equipment.
- This product is flammable. Plastic drum casing iron drum packaging, net weight 20kg or 200kg. Storage period of one year, should be sealed and stored in a dry, cool and ventilated place, away from the fire, heat source, to prevent sun exposure, should be stored separately from the oxidant. According to the provisions of flammable storage and transportation. Galvanized iron drum packaging, 200kg per barrel.
Last Update：2022-01-01 10:40:24
氟代苯 - Reference Information
| relative polarity | 3.3 |
| LogP | 2.27 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | this product is mainly used to make major raw materials such as antipsychotic drugs such as fluorobutanol, daropyrene, trihaloperidol, trifluoroperidol, pentafluride, quinolone-ciprofloxacin, etc. It is also used for the identification of pesticides, insecticides and egg-killing agents, plastics and resin polymers. The condensation of fluorobenzene and γ-chlorobutyryl chloride can produce γ-chloro-p-fluorobutanone, which is used to synthesize haloperidol and is the most commonly used drug in butyryl benzene antipsychotics. It is mainly used to make specific antipsychotic drugs such as floperidol, etc., also used as an insecticide, and used for the identification of plastics and resin polymers |
| Production method | 1. It is obtained by reacting aniline via Seaman (Schiemann). After aniline is salted with 31% hydrochloric acid, it is cooled to -8 ℃, and diazotized with sodium nitrite solution. The diazonium solution is cooled to -10 ℃, and the fluoroboric acid solution is added to generate a fluoroboric acid diazonium salt with low solubility, and filtered. Fluoroboric acid diazobenzene was dried and subjected to pyrolysis. At the same time, the produced fluorobenzene is distilled, the distillate is washed with sodium hydroxide solution, then washed with water, dried and distilled to obtain the finished product with a yield of about 53%. This method consumes a lot of boric acid, has a lot of exhaust gas, and has a high cost. 2. Use dry sodium nitrite and aniline to act in anhydrous hydrogen fluoride, and then keep the diazo compound solution below 40 ℃ for 80% yield. The advantages of this method are low cost and less exhaust gas. 3. The trifluoroacetic anhydride method uses trifluoroacetic anhydride and cyclohexane as raw materials, and then reacts with hydrogen fluoride to generate 1,1-difluorocyclohexane and trifluoroacetic acid; 1,1-difluorocyclohexane is dehydrogenated and dehydrofluorinated to obtain fluorobenzene. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral administration-rat LD50: 4399 mg/kg; Inhalation-mouse 45g/m3/2 h |
| flammability hazard characteristics | flammable in case of open flame, high temperature and oxidant; toxic fluoride smoke from combustion |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from oxidant |
| fire extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
| occupational standard | TWA 2.5 mg/m3 |
Last Update：2024-04-09 15:16:46
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View History
氟代苯
Stannane, bis(2-ethylhexanoyloxy)dibutyl-
Terbium(III, IV) oxide
Dodecanoic acid 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester
依维莫司杂质12
3-ISOPROPYLAMINO-PROPIONIC ACID ETHYL ESTER X HCL
(R)-2-((((9H-芴-9-基)甲氧基)羰基)氨基)-3-(2H-四唑-5-基)丙酸
1-(4-PYRIDYL)PYRIDINIUM CHLORIDE HYDROCHLORIDE N-HYDRATE
4-[4-(吡啶-3-基)咪唑-1-基]丁基酞酰亚胺
佐芬普利钙
Stannane, bis(2-ethylhexanoyloxy)dibutyl-
Terbium(III, IV) oxide
Dodecanoic acid 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester
依维莫司杂质12
3-ISOPROPYLAMINO-PROPIONIC ACID ETHYL ESTER X HCL
(R)-2-((((9H-芴-9-基)甲氧基)羰基)氨基)-3-(2H-四唑-5-基)丙酸
1-(4-PYRIDYL)PYRIDINIUM CHLORIDE HYDROCHLORIDE N-HYDRATE
4-[4-(吡啶-3-基)咪唑-1-基]丁基酞酰亚胺
佐芬普利钙
Raw Materials for 氟代苯
Downstream Products for 氟代苯