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| CAS No.: | 3784-03-0 |
|---|---|
| Name: | Sodium 2,4,6-trichlorophenolate |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H2Cl3NaO |
| Molecular Weight: | 219.43 |
| Synonyms: | Phenol,2,4,6-trichloro-, sodium salt (8CI,9CI);2,4,6-Trichlorophenol sodium salt;Sodium 2,4,6-trichlorophenate;Sodium 2,4,6-trichlorophenolate;Sodium2,4,6-trichlorophenoxide; |
| EINECS: | 223-246-2 |
| Melting Point: | 66-68oC |
| Boiling Point: | 246 °C at 760 mmHg |
| Flash Point: | 95.9 °C |
| Solubility: | 800 mg/L in water |
| Appearance: | light yellow liquid |
| Hazard Symbols: | 20/21/22-36/37/38:; |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 23.06000 |
| LogP: | 3.79060 |
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Specification
The Phenol, 2,4,6-trichloro-, sodium salt (1:1), with the CAS registry number 3784-03-0, is also known as 2,4,6-Trichlorophenol sodium salt. It belongs to the product category of Phenoles and Thiophenoles. Its EINECS registry number is 223-246-2. This chemical's molecular formula is C6H2Cl3NaO and molecular weight is 219.42825. Its IUPAC name is called sodium 2,4,6-trichlorophenolate. The product should be sealed and stored in cool and dry place, which can be used as pharmaceutical intermediate and pesticides intermediate.
Physical properties of Phenol, 2,4,6-trichloro-, sodium salt (1:1): (1)ACD/LogP: 3.58; (2)ACD/LogD (pH 5.5): 3.54; (3)ACD/LogD (pH 7.4): 2.7; (4)ACD/BCF (pH 5.5): 284.15; (5)ACD/BCF (pH 7.4): 41.33; (6)ACD/KOC (pH 5.5): 1941.77; (7)ACD/KOC (pH 7.4): 282.45; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Flash Point: 95.9 °C; (12)Enthalpy of Vaporization: 50.27 kJ/mol; (13)Boiling Point: 246 °C at 760 mmHg; (14)Vapour Pressure: 0.0177 mmHg at 25°C.
Uses of Phenol, 2,4,6-trichloro-, sodium salt (1:1): it can be used to produce carbonic acid isopropenyl ester 2,4,6-trichloro-phenyl ester at ambient temperature. This reaction will need solvent acetonitrile. The yield is about 90%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. 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 protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1Cl)[O-])Cl)Cl.[Na+]
(2)InChI: InChI=1S/C6H3Cl3O.Na/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;/q;+1/p-1
(3)InChIKey: MWWVVWIHGYXNNR-UHFFFAOYSA-M