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CAS No.: | 824-39-5 |
---|---|
Name: | Sodium 2-nitrophenoxide |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H4NNaO3 |
Molecular Weight: | 161.092 |
Synonyms: | Sodium o-nitrophenol;Sodium o-nitrophenolate;Sodiumo-nitrophenoxide;o-Nitrophenol sodium salt;Sodium ortho-nitrophenolate(98%TC);Phenol,2-nitro-, sodium salt (9CI);Phenol, o-nitro-, sodium deriv. (6CI);Phenol,o-nitro-, sodium salt (8CI);Sodium, (o-nitrophenoxy)- (7CI);(o-Nitrophenolato)sodium;2-Nitrophenol sodium salt;Sodium 2-nitrophenolate; |
EINECS: | 212-527-5 |
Density: | 1.301 |
Melting Point: | 215-218°C |
Boiling Point: | 215.8 °C at 760 mmHg |
Flash Point: | 97.1 °C |
Solubility: | Easily soluble in water. Soluble in ethanol, methanol and acetone |
Appearance: | dark red acicular crystals |
Hazard Symbols: | T,Xi |
Risk Codes: | R25; R36; R36/37/38 |
PSA: | 68.88000 |
LogP: | 2.26180 |
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The Sodium 2-nitrophenoxide, with the CAS registry number 824-39-5, is also known as o-Nitrophenol sodium salt. It belongs to the product categories of Intermediates of Dyes and Pigments; Analytical Chemistry; Indicator (pH); pH Indicators. Its EINECS number is 212-527-5. This chemical's molecular formula is C6H4NNaO3 and molecular weight is 161.09. What's more, its systematic name is Sodium 2-nitrophenolate. This chemical is used as plant growth regulator. It is also used in the area of pharmaceutical chemicals.
Physical properties of Sodium 2-nitrophenoxide are: (1)ACD/LogP: 1.709; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.70; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 11.45; (6)ACD/BCF (pH 7.4): 4.15; (7)ACD/KOC (pH 5.5): 198.06; (8)ACD/KOC (pH 7.4): 71.84; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.05 Å2; (13)Flash Point: 97.1 °C; (14)Enthalpy of Vaporization: 47.06 kJ/mol; (15)Boiling Point: 215.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0987 mmHg at 25°C.
Uses of Sodium 2-nitrophenoxide: it can be used to produce 1,4-bis-(2-nitro-phenoxy)-butane by heating. It will need reagent solvent dimethylformamide with the reaction time of 2 hours. The yield is about 60%.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=[N+]([O-])c1ccccc1[O-]
(2)Std. InChI: InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1
(3)Std. InChIKey: AXKBOWBNOCUNJL-UHFFFAOYSA-M