4-ETHYNYL-BENZOIC ACID
- Product Name
- 4-ETHYNYL-BENZOIC ACID
- CAS No.
- 10602-00-3
- Chemical Name
- 4-ETHYNYL-BENZOIC ACID
- Synonyms
- DK461;RARECHEM AL BO 1500;p-Ethynylbenzoic Acid;4-ETHYNYL-BENZOIC ACID;4-Eethynylbenzoic acid;4-EthynylbenzoicAcid>4-Ethylenyl-benzoic acid;Benzoic acid, 4-ethynyl-;4-Ethynylbenzoic acid 97%;4-Ethynylbenzoic acid, >=95%
- CBNumber
- CB3430662
- Molecular Formula
- C9H6O2
- Formula Weight
- 146.14
- MOL File
- 10602-00-3.mol
4-ETHYNYL-BENZOIC ACID Property
- Melting point:
- 200°C
- Boiling point:
- 277.2±23.0 °C(Predicted)
- Density
- 1.23±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C
- form
- powder or crystals
- pka
- 3.95±0.10(Predicted)
- color
- Light yellow to Yellow to Orange
- InChI
- InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
- InChIKey
- SJXHLZCPDZPBPW-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(C#C)C=C1
Safety
- Hazard Codes
- Xn
- Risk Statements
- 36/37/38-36-22
- Safety Statements
- 26-36/37/39
- HS Code
- 2916399090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- 900999
- Product name
- 4-Ethynylbenzoic acid
- Packaging
- 1g
- Price
- $310.65
- Updated
- 2025/07/31
- Product number
- E1041
- Product name
- 4-Ethynylbenzoic Acid
- Purity
- >96.0%(GC)(T)
- Packaging
- 1g
- Price
- $341
- Updated
- 2025/07/31
- Product number
- E932155
- Product name
- 4-Ethynylbenzoic acid
- Packaging
- 1g
- Price
- $75
- Updated
- 2021/12/16
- Product number
- 047874
- Product name
- 4-Ethynylbenzoic acid
- Packaging
- 250mg
- Price
- $20
- Updated
- 2021/12/16
- Product number
- 18069
- Product name
- 4-Ethynyl-benzoicacid,≥98%(HPLC)
- Purity
- ≥98%(HPLC)
- Packaging
- 1G
- Price
- $23.3
- Updated
- 2021/12/16
4-ETHYNYL-BENZOIC ACID Chemical Properties,Usage,Production
Chemical Properties
4-Ethynylbenzoic acid is a bright yellow or orange solid at room temperature and pressure. It is a benzoic acid derivative and has the general properties of an acid.
Uses
4-Ethynylbenzoic acid may be used in the synthesis of N-(4-ethynylphenylcarbonyl) L-glutamic acid diethyl ester, a precursor for synthesizing glutamic acid-based dendritic helical poly(phenylacetylene)s. It can also be used to prepare zinc porphyrins attached to various cyclic aromatic hydrocarbon substituents, which can act as potential photo-sensitizers for dye-sensitized solar cells (DSSCs). This product was previously listed as CBR01612.
Synthesis
75867-41-3
10602-00-3
Synthesis of 4-ethynylbenzoic acid: Methyl 4-[(trimethylsilyl)ethynyl]benzoate (714 mg, 3.07 mmol) was dissolved in a methanol solution of 4% KOH (w:v, 30 mL) and the reaction was carried out at reflux overnight. Upon completion of the reaction, the pH of the reaction solution was adjusted to 2-3 with 6N HCl (detected by pH paper), followed by extraction with ethyl acetate (EtOAc) twice. The organic layers were combined, dried with anhydrous sodium sulfate (Na2SO4), and concentrated under reduced pressure to afford 4-ethynylbenzoic acid (427 mg, 2.92 mmol, 95% yield) as a brown solid.1H-NMR (d6-acetone, 500 MHz) δ (ppm): 7.62 (d, J = 16.2 Hz, 2H); 8.03 (d, J = 16.3 Hz 2H).
References
[1] Journal of the American Chemical Society, 2009, vol. 131, # 30, p. 10692 - 10700
[2] Patent: US2013/65248, 2013, A1. Location in patent: Page/Page column
[3] Patent: US9290791, 2016, B2
[4] Journal of Medicinal Chemistry, 2015, vol. 58, # 11, p. 4851 - 4856
[5] Journal of Medicinal Chemistry, 2012, vol. 55, # 22, p. 9562 - 9575
4-ETHYNYL-BENZOIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-ETHYNYL-BENZOIC ACID manufacturers
- Product
- 4-Ethynylbenzoic acid 10602-00-3
- Price
- US $64.00-764.00/g
- Min. Order
- 5g
- Purity
- 0.97
- Supply Ability
- 25kg
- Release date
- 2023-12-14
- Product
- 4-Ethynylbenzoic acid 10602-00-3
- Price
- US $1.00/g
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2020-01-09