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| CAS No.: | 144693-65-2 |
|---|---|
| Name: | 4-ETHYNYLBENZOIC ACID SODIUM SALT |
| Molecular Structure: | |
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| Formula: | C9H6NaO2 |
| Molecular Weight: | 168.127 |
| Synonyms: | Benzoicacid, 4-ethynyl-, sodium salt (9CI);4-Ethynylbenzoic acid sodium salt;Sodium 4-ethynylbenzoate;(4-Carboxyphenyl)acetylene sodium salt; |
| EINECS: | -0 |
| Solubility: | Water soluble |
| Appearance: | Light brown solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 40.13000 |
| LogP: | 0.03140 |
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Specification
The Benzoic acid,4-ethynyl-, sodium salt (1:1), with the CAS registry number 144693-65-2, is also known as 4-Ethynylbenzoic acid sodium salt. This chemical's molecular formula is C9H6NaO2 and molecular weight is 168.12. What's more, its systematic name is Sodium 4-ethynylbenzoate and it belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. The product should be sealed and stored in ventilated and dry places. It should be protected from oxides, light and fire.
Physical properties of Benzoic acid,4-ethynyl-, sodium salt (1:1) are: (1)#H bond acceptors: 2; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 40.13 Å2.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].C#Cc1ccc(cc1)C([O-])=O
(2)InChI: InChI=1/C9H6O2.Na/c1-2-7-3-5-8(6-4-7)9(10)11;/h1,3-6H,(H,10,11);/q;+1/p-1
(3)InChIKey: VXBLAFDQGACQAR-UHFFFAOYSA-M