3-Bromo-5-fluorobenzonitrole
3-Bromo-5-fluorobenzonitrile
CAS: 179898-34-1
Molecular Formula: C7H3BrFN
3-Bromo-5-fluorobenzonitrole - Names and Identifiers
| Name | 3-Bromo-5-fluorobenzonitrile |
| Synonyms | NCR CF EE [WLN] 3-BroMo-5-fluoronitrobenzene 3-Cyano-5-fluorobromobenzene 3-Bromo-5-fluorobenzonitrole 3-Bromo-5-fluorobenzonitrile 3-BROMO-5-FLUOROBENZONITRILE Benzonitrile, 3-bromo-5-fluoro- |
| CAS | 179898-34-1 |
| InChI | InChI=1/C7H3BrFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H |
3-Bromo-5-fluorobenzonitrole - Physico-chemical Properties
| Molecular Formula | C7H3BrFN |
| Molar Mass | 200.01 |
| Density | 1.69±0.1 g/cm3(Predicted) |
| Melting Point | 43 °C |
| Boling Point | 218.7±20.0 °C(Predicted) |
| Flash Point | 86.1°C |
| Vapor Presure | 0.124mmHg at 25°C |
| Appearance | Solid |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.577 |
| MDL | MFCD04038227 |
3-Bromo-5-fluorobenzonitrole - 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. R36 - Irritating to the eyes R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 3439 |
| Hazard Note | Toxic |
| Hazard Class | 6.1 |
| Packing Group | III |
3-Bromo-5-fluorobenzonitrole - Introduction
The chemical formula C7H4BrFN is an organic compound. The following is a description of its nature, use, preparation and safety information:
Nature:
-Appearance: Colorless crystalline solid.
-Melting point: about 53-55 ℃.
-Boiling point: About 244-245 ℃.
-Density: about 1.822g/cm³.
-Solubility: Soluble in organic solvents (such as ether, alcohol and ketone), basically insoluble in water.
Use:
As an organic synthesis intermediate, it has a wide range of applications, such:
-In the pharmaceutical industry, it can be used to synthesize compounds such as antibacterial drugs and pesticides.
-Can be used as a synthetic raw material for dyes and pigments.
-can also be used for organic synthesis reaction catalyst.
-Can be used as additives for coatings and plastics.
Method:
It can usually be prepared by the reaction of 3-bromo-5-fluorobenzyl alcohol with thionyl chloride. Under the reaction conditions, 3-bromo-5-fluorobenzyl alcohol is first heated to react with thionyl chloride, and then the resulting allyl sulfate is dissolved and stabilized (usually using alkali treatment), finally, it is converted to a phosphonium by an acylation reaction.
Safety Information:
-³ Be aware of the risk of fire and explosion during storage and handling.
-In use, good ventilation and industrial hygiene are required to avoid inhalation, contact with skin or ingestion.
-In case of inadvertent contact, immediately flush the affected area with plenty of water and seek medical assistance.
-Avoid contact with strong oxidants and strong acids to avoid harmful substances and dangerous reactions.
Nature:
-Appearance: Colorless crystalline solid.
-Melting point: about 53-55 ℃.
-Boiling point: About 244-245 ℃.
-Density: about 1.822g/cm³.
-Solubility: Soluble in organic solvents (such as ether, alcohol and ketone), basically insoluble in water.
Use:
As an organic synthesis intermediate, it has a wide range of applications, such:
-In the pharmaceutical industry, it can be used to synthesize compounds such as antibacterial drugs and pesticides.
-Can be used as a synthetic raw material for dyes and pigments.
-can also be used for organic synthesis reaction catalyst.
-Can be used as additives for coatings and plastics.
Method:
It can usually be prepared by the reaction of 3-bromo-5-fluorobenzyl alcohol with thionyl chloride. Under the reaction conditions, 3-bromo-5-fluorobenzyl alcohol is first heated to react with thionyl chloride, and then the resulting allyl sulfate is dissolved and stabilized (usually using alkali treatment), finally, it is converted to a phosphonium by an acylation reaction.
Safety Information:
-³ Be aware of the risk of fire and explosion during storage and handling.
-In use, good ventilation and industrial hygiene are required to avoid inhalation, contact with skin or ingestion.
-In case of inadvertent contact, immediately flush the affected area with plenty of water and seek medical assistance.
-Avoid contact with strong oxidants and strong acids to avoid harmful substances and dangerous reactions.
Last Update：2024-04-09 19:05:47
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