1011-73-0

Content(%): ≥70
Purity(%): ≥98.0

The Sodium 2,4-dinitrophenate is an organic compound with the formula C₆H₃N₂NaO₅. The IUPAC name of this chemical is sodium 2,4-dinitrophenolate. With the CAS registry number 1011-73-0, it is also named as phenol, 2,4-dinitro-, sodium salt (1:1). The product's category is Intermediates of Dyes and Pigments.

Physical properties about Sodium 2,4-dinitrophenate are: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 0.27; (3)ACD/LogD (pH 7.4): -1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.19; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 111.87 Å²; (12)Flash Point: 142.8 °C; (13)Enthalpy of Vaporization: 57.51 kJ/mol; (14)Boiling Point: 312.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000294 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-fluoro-2,4-dinitro-benzene. This reaction will need reagent NaOH and solvent H₂O.

Uses of Sodium 2,4-dinitrophenate: it can be used to produce benzoic acid-(2,4-dinitro-phenyl ester) at temperature of 25 °C. It will need reagent tricaprylmethylammonium chloride and solvent benzene.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=[N+]([O-])c1cc(ccc1[O-])[N+]([O-])=O
(2)InChI: InChI=1/C6H4N2O5.Na/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;/h1-3,9H;/q;+1/p-1
(3)InChIKey: JMOHQJVXBQAVNW-REWHXWOFAB
(4)Std. InChI: InChI=1S/C6H4N2O5.Na/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;/h1-3,9H;/q;+1/p-1
(5)Std. InChIKey: JMOHQJVXBQAVNW-UHFFFAOYSA-M

The toxicity data is as follows: