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CAS No.: | 25112-68-9 |
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Name: | 2-THIOPHENECARBOXYLIC ACID SODIUM SALT |
Molecular Structure: | |
Formula: | C5H3NaO2S |
Molecular Weight: | 150.133 |
Synonyms: | 2-Thiophenecarboxylicacid, sodium salt (8CI,9CI);2-Thiophenecarboxylic acid sodium salt;Soufrane;Trophires; |
EINECS: | 246-628-0 |
Boiling Point: | 260 °C at 760 mmHg |
Flash Point: | 117.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 68.37000 |
LogP: | 0.11160 |
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The Sodium thiophene-2-carboxylate, also known as Sodium 2-thenoate, is the organic compound with the formula C5H3NaO2S. It belongs to the product categories of Organic Acids; Building Blocks; Heterocyclic Building Blocks; Thiophenes. Its EINECS registry number is 246-628-0. With the CAS registry number 25112-68-9, its IUPAC name is the same with the product name. The substance should be sealed and stored in cool and dry place.
Physical properties of Sodium thiophene-2-carboxylate: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 1; (4)Exact Mass: 149.975145; (5)MonoIsotopic Mass: 149.975145; (6)Topological Polar Surface Area: 68.4; (7)Heavy Atom Count: 9; (8)Formal Charge: 0; (9)Complexity: 107; (10)Defined Bond StereoCenter Count: 0; (11)Undefined Bond StereoCenter Count: 0; (12)Covalently-Bonded Unit Count: 2.
Uses of Sodium thiophene-2-carboxylate: it can be used to produce thiophene-2-carboxylic acid oxiranylmethyl ester by heating. This reaction will need reagent benzyltrimethylammonium chloride and solvent toluene with reaction time of 45 min. The yield is about 70%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)C(=O)[O-].[Na+]
(2)InChI: InChI=1S/C5H4O2S.Na/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
(3)InChIKey: LKYIPGJOXSVWPX-UHFFFAOYSA-M