171050-06-9
3-Cyano-4-fluorobenzoic acid
CAS: 171050-06-9
Molecular Formula: C8H4FNO2
171050-06-9 - Names and Identifiers
| Name | 3-Cyano-4-fluorobenzoic acid |
| Synonyms | QVR DF CCN [WLN] 4-Fluoro-3-cyanobenzoic acid 3-Cyano-4-fluorobenzoic acid 5-Carboxy-2-fluorobenzonitrile Benzoic acid, 3-cyano-4-fluoro- benzoic acid, 3-cyano-4-fluoro- |
| CAS | 171050-06-9 |
| InChI | InChI=1/C8H4FNO2/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H,11,12) |
171050-06-9 - Physico-chemical Properties
| Molecular Formula | C8H4FNO2 |
| Molar Mass | 165.12 |
| Density | 1.42±0.1 g/cm3(Predicted) |
| Melting Point | 187-188 °C |
| Boling Point | 322.4±27.0 °C(Predicted) |
| Flash Point | 148.8°C |
| Vapor Presure | 0.000115mmHg at 25°C |
| pKa | 3.58±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.564 |
171050-06-9 - Introduction
3-Cyano-4-fluorobenzoic acid is an organic compound with the chemical formula C7H4FNO2. The following is a description of its nature, use, formulation and safety information:
Nature:
-Appearance: 3-Cyano-4-fluorobenzoic acid is a white crystalline solid;
-Melting Point: about 115-118 ℃;
-Boiling point: About 333 ℃;
-Solubility: Almost insoluble in water, but soluble in organic solvents such as ether and alcohol.
Use:
3-Cyano-4-fluorobenzoic acid can be used to synthesize a series of organic compounds and has a wide range of applications, such as pharmaceuticals, pesticides and dyes.
Method:
There are two main methods for preparing 3-Cyano-4-fluorobenzoic acid:
-obtained by dehydration cyanation of 4-fluorobenzoic acid. First, 4-fluorobenzoic acid reacts with potassium cyanide to form a cyanide compound, and then undergoes a hydrolysis reaction to generate 3-Cyano-4-fluorobenzoic acid.
-obtained by fluorination of 4-cyanobenzoic acid. First, 4-cyanobenzoic acid is reacted with hydrogen fluoride or fluoride to undergo a substitution reaction to give 3-Cyano-4-fluorobenzoic acid.
Safety Information:
3-Cyano-4-fluorobenzoic acid is an organic compound. The following safety measures should be paid attention to during use and storage:
-Avoid skin, eye and respiratory contact and wear appropriate protective equipment if necessary;
-In the process of operation, dust and splash should be avoided;
-Store away from open flames and heat sources and keep sealed;
-Operate in a well-ventilated place.
Nature:
-Appearance: 3-Cyano-4-fluorobenzoic acid is a white crystalline solid;
-Melting Point: about 115-118 ℃;
-Boiling point: About 333 ℃;
-Solubility: Almost insoluble in water, but soluble in organic solvents such as ether and alcohol.
Use:
3-Cyano-4-fluorobenzoic acid can be used to synthesize a series of organic compounds and has a wide range of applications, such as pharmaceuticals, pesticides and dyes.
Method:
There are two main methods for preparing 3-Cyano-4-fluorobenzoic acid:
-obtained by dehydration cyanation of 4-fluorobenzoic acid. First, 4-fluorobenzoic acid reacts with potassium cyanide to form a cyanide compound, and then undergoes a hydrolysis reaction to generate 3-Cyano-4-fluorobenzoic acid.
-obtained by fluorination of 4-cyanobenzoic acid. First, 4-cyanobenzoic acid is reacted with hydrogen fluoride or fluoride to undergo a substitution reaction to give 3-Cyano-4-fluorobenzoic acid.
Safety Information:
3-Cyano-4-fluorobenzoic acid is an organic compound. The following safety measures should be paid attention to during use and storage:
-Avoid skin, eye and respiratory contact and wear appropriate protective equipment if necessary;
-In the process of operation, dust and splash should be avoided;
-Store away from open flames and heat sources and keep sealed;
-Operate in a well-ventilated place.
Last Update：2024-04-09 19:05:47
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