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| CAS No.: | 555-24-8 |
|---|---|
| Name: | LITHIUM PHENOXIDE |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5LiO |
| Molecular Weight: | 100.046 |
| Synonyms: | Lithiumphenoxide (6CI,7CI);Phenol, lithium salt (8CI,9CI);Lithium carbolate;Lithiumphenate;Lithium phenolate;Phenollithium;Phenoxylithium; |
| EINECS: | 209-086-6 |
| Density: | 0.92 g/mL at 20 °C |
| Melting Point: | 476 °C |
| Boiling Point: | 181.8 °C at 760 mmHg |
| Flash Point: | 72.5 °C |
| Appearance: | brown liquid |
| Hazard Symbols: |
 F;  C
|
| Risk Codes: | 11-34-19 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 2924 |
| PSA: | 23.06000 |
| LogP: | 1.83040 |
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Specification
The Phenol, lithium salt(1:1), with CAS registry number 555-24-8, has the systematic name of lithium phenolate. Besides this, it is also called Phenoxylithium. This chemical is a kind of brown liquid. And the chemical formula of this chemical is C6H5LiO. What's more, its EINECS is 209-086-6.
Physical properties of Phenol, lithium salt(1:1): (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.88; (6)ACD/BCF (pH 7.4): 7.85; (7)ACD/KOC (pH 5.5): 152.46; (8)ACD/KOC (pH 7.4): 151.95; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Flash Point: 72.5 °C; (14)Enthalpy of Vaporization: 43.52 kJ/mol; (15)Boiling Point: 181.8 °C at 760 mmHg; (16)Vapour Pressure: 0.614 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Phenol, lithium salt(1:1) is high flammable, and it may cause burns, so keep it away from sources of ignition. And it may form explosive peroxides. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: [Li+].[O-]c1ccccc1
(2)InChI: InChI=1/C6H6O.Li/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
(3)InChIKey: XAVQZBGEXVFCJI-REWHXWOFAD
(4)Std. InChI: InChI=1S/C6H6O.Li/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
(5)Std. InChIKey: XAVQZBGEXVFCJI-UHFFFAOYSA-M