Benzoic acid, 4-ethynyl- (9CI)
4-Ethynylbenzoic acid
CAS: 10602-00-3
Molecular Formula: C9H6O2
Benzoic acid, 4-ethynyl- (9CI) - Names and Identifiers
| Name | 4-Ethynylbenzoic acid |
| Synonyms | RARECHEM AL BO 1500 P-ETHYNYLBENZOIC ACID 4-Ethynylbenzoic acid p-Ethynylbenzoic Acid 4-ETHYNYL-BENZOIC ACID 4-Eethynylbenzoic acid Benzoic acid, 4-ethynyl- (9CI) |
| CAS | 10602-00-3 |
| InChI | InChI=1/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11) |
| InChIKey | SJXHLZCPDZPBPW-UHFFFAOYSA-N |
Benzoic acid, 4-ethynyl- (9CI) - Physico-chemical Properties
| Molecular Formula | C9H6O2 |
| Molar Mass | 146.14 |
| Density | 1.23g/cm3 |
| Melting Point | 200°C |
| Boling Point | 277.2°C at 760 mmHg |
| Flash Point | 126.4°C |
| Vapor Presure | 0.0022mmHg at 25°C |
| Appearance | Morphological powder or crystals |
| pKa | 3.95±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.591 |
| MDL | MFCD00168819 |
Benzoic acid, 4-ethynyl- (9CI) - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 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. |
Benzoic acid, 4-ethynyl- (9CI) - Upstream Downstream Industry
Benzoic acid, 4-ethynyl- (9CI) - Introduction
4-Ethynylbenzoic acid is an organic compound with the chemical formula C9H6O2. The following is a description of its nature, use, preparation and safety information:
Nature:
4-Ethynylbenzoic acid is a white crystalline solid with low solubility. It appears as a colorless to pale yellow solid at room temperature.
Use:
4-Ethynylbenzoic acid is mainly used as an intermediate in organic synthesis. It can be prepared by esterification of ester compounds, as dyes, pharmaceuticals and pesticides raw materials, such as the preparation of fight cordycepic acid, anti-cancer activity. In addition, it can also be used to prepare imported and domestic dyes, such as black dye No. 138.
Preparation Method:
4-Ethynylbenzoic acid can be prepared by the reaction of phenylacetylene and benzoic acid. The specific preparation process can be divided into two steps:
1. phenylacetylene and sodium hydroxide are reacted in ether or alcohol solvent to generate 4-ethynylstyrene.
2. 4-ethynylstyrene is reacted with benzoic acid under acidic conditions to generate 4-ethynylbenzoic acid.
Safety Information:
4-Ethynylbenzoic acid has low toxicity in general. However, it can be irritating to the skin and eyes. Appropriate safety measures, such as wearing gloves and goggles, must be taken to avoid direct contact during use.
It should be emphasized that the safe use and handling details of chemicals should follow specific laboratory safety procedures and safety data sheets provided by manufacturers.
Nature:
4-Ethynylbenzoic acid is a white crystalline solid with low solubility. It appears as a colorless to pale yellow solid at room temperature.
Use:
4-Ethynylbenzoic acid is mainly used as an intermediate in organic synthesis. It can be prepared by esterification of ester compounds, as dyes, pharmaceuticals and pesticides raw materials, such as the preparation of fight cordycepic acid, anti-cancer activity. In addition, it can also be used to prepare imported and domestic dyes, such as black dye No. 138.
Preparation Method:
4-Ethynylbenzoic acid can be prepared by the reaction of phenylacetylene and benzoic acid. The specific preparation process can be divided into two steps:
1. phenylacetylene and sodium hydroxide are reacted in ether or alcohol solvent to generate 4-ethynylstyrene.
2. 4-ethynylstyrene is reacted with benzoic acid under acidic conditions to generate 4-ethynylbenzoic acid.
Safety Information:
4-Ethynylbenzoic acid has low toxicity in general. However, it can be irritating to the skin and eyes. Appropriate safety measures, such as wearing gloves and goggles, must be taken to avoid direct contact during use.
It should be emphasized that the safe use and handling details of chemicals should follow specific laboratory safety procedures and safety data sheets provided by manufacturers.
Last Update：2024-04-09 22:01:47
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Product Name: 4-Ethynyl-Benzoic Acid Visit Supplier Webpage Request for quotationCAS: 10602-00-3
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Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
View History
Raw Materials for Benzoic acid, 4-ethynyl- (9CI)
4-Carboxyethynyl-benzoic acid
4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER
4-((Trimethylsilyl)ethynyl)benzoic acid
TERT-BUTYL 4-ETHYNYLBENZOATE
Ethyl 4-iodobenzoate
Ethyl 4-bromobenzoate
4-Bromobenzoic acid
4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER
4-((Trimethylsilyl)ethynyl)benzoic acid
TERT-BUTYL 4-ETHYNYLBENZOATE
Ethyl 4-iodobenzoate
Ethyl 4-bromobenzoate
4-Bromobenzoic acid