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Sodium 2,4-dinitrophenate

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Name

Sodium 2,4-dinitrophenate

EINECS 213-786-7
CAS No. 1011-73-0 Density N/A
PSA 114.70000 LogP 2.69320
Solubility N/A Melting Point N/A
Formula C6H3N2NaO5 Boiling Point 312.1 °C at 760 mmHg
Molecular Weight 206.09 Flash Point 142.8 °C
Transport Information UN 1321 Appearance Brown Yellow Flake Crystal
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1011-73-0 (Sodium 2,4-dinitrophenate) Hazard Symbols N/A
Synonyms

Phenol,2,4-dinitro-, sodium deriv. (6CI);Phenol, 2,4-dinitro-, sodium salt (8CI,9CI);2,4-Dinitrophenol sodium salt;Sodium 2,4-dinitrophenate;Sodium2,4-dinitrophenol;Sodium 2,4-dinitrophenoxide;

Article Data 13

Sodium 2,4-dinitrophenate Synthetic route

70-34-8

2,4-Dinitrofluorobenzene

1011-73-0

sodium 2,4-dinitrophenoxide

Conditions
ConditionsYield
With Cumene hydroperoxide; cumene hydroperoxide sodium salt In toluene Ambient temperature;90%
With sodium hydroxide In water Rate constant; variation of surfactants;
With sodium hydroxide In water; dimethyl sulfoxide at 25℃; Rate constant; Mechanism; Equilibrium constant;
584-48-5

2,4-dinitrobromobenzene

1011-73-0

sodium 2,4-dinitrophenoxide

Conditions
ConditionsYield
With sodium hydroxide In water; dimethyl sulfoxide at 25℃; Rate constant; Mechanism; Equilibrium constant;
709-49-9

1-iodo-2,4-dinitrobenzene

1011-73-0

sodium 2,4-dinitrophenoxide

Conditions
ConditionsYield
With sodium hydroxide In water; dimethyl sulfoxide at 25℃; Rate constant; Mechanism; Equilibrium constant;
75735-29-4

(E)-O-(2,4-dinitrophenyl)benzaldoxime

A

1011-73-0

sodium 2,4-dinitrophenoxide

B

100-47-0

benzonitrile

Conditions
ConditionsYield
With sodium methylate In methanol at 25℃; Rate constant; Kinetics; Mechanism; isotope effect; other (E)-O-arylbenzaldoximes;
75735-26-1

O-(2,4-dinitrophenyl)-p-nitrobenzaldoxime

A

1011-73-0

sodium 2,4-dinitrophenoxide

B

619-72-7

4-nitrobenzonitrile

Conditions
ConditionsYield
With sodium methylate In methanol at 25℃; Rate constant;
115828-58-5

4-methoxy-benzaldehyde-[O-(2,4-dinitro-phenyl)-seqtrans-oxime ]

A

1011-73-0

sodium 2,4-dinitrophenoxide

B

874-90-8

4-methoxybenzonitrile

Conditions
ConditionsYield
With sodium methylate In methanol at 25℃; Rate constant;
70-34-8

2,4-Dinitrofluorobenzene

100-51-6

benzyl alcohol

A

2734-78-3

1-(benzyloxy)-2,4-dinitrobenzene

B

1011-73-0

sodium 2,4-dinitrophenoxide

Conditions
ConditionsYield
With sodium hydroxide In octane; water at 25℃;
71-23-8

propan-1-ol

75-85-4

tert-Amyl alcohol

71-41-0

pentan-1-ol

70-34-8

2,4-Dinitrofluorobenzene

75-65-0

tert-butyl alcohol

A

33696-26-3

tert-Butyl-2,4-dinitrophenylether

B

37445-91-3

1,1-Dimethylpropyl-2,4-dinitrophenolat

C

10242-17-8

1-propoxy-2,4-dinitrobenzene

D

13417-45-3

(2,4-dinitro-phenyl)-pentyl ether

E

1011-73-0

sodium 2,4-dinitrophenoxide

Conditions
ConditionsYield
With potassium hydroxide; sodium hydroxide; cetyltrimethylammonim bromide In octane; water at 25℃; Kinetics; Product distribution;
115828-59-6

3-Bromo-benzaldehyde O-(2,4-dinitro-phenyl)-oxime

A

6952-59-6

3-cyanobromobenzene

B

1011-73-0

sodium 2,4-dinitrophenoxide

Conditions
ConditionsYield
With sodium methylate In methanol at 25℃; Rate constant;
139584-37-5

C13H8(2)HN3O5

A

1011-73-0

sodium 2,4-dinitrophenoxide

B

100-47-0

benzonitrile

Conditions
ConditionsYield
With sodium methylate In methanol at 25℃; Rate constant;

Sodium 2,4-dinitrophenate Standards and Recommendations

Content(%): ≥70
Purity(%): ≥98.0

Sodium 2,4-dinitrophenate Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intramuscular 25mg/kg (25mg/kg) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION Journal of Pharmacology and Experimental Therapeutics. Vol. 48, Pg. 410, 1933.
cat LDLo subcutaneous 25mg/kg (25mg/kg) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION Journal of Pharmacology and Experimental Therapeutics. Vol. 48, Pg. 410, 1933.
dog LDLo intramuscular 25mg/kg (25mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION Journal of Pharmacology and Experimental Therapeutics. Vol. 48, Pg. 410, 1933.
dog LDLo intravenous 20mg/kg (20mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 20, 1935.
dog LDLo oral 30mg/kg (30mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 49, Pg. 187, 1933.
dog LDLo subcutaneous 25mg/kg (25mg/kg) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION Journal of Pharmacology and Experimental Therapeutics. Vol. 48, Pg. 410, 1933.
mouse LD50 subcutaneous 50mg/kg (50mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 56, Pg. 23, 1960.
pigeon LDLo intramuscular 15mg/kg (15mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 49, Pg. 187, 1933.
pigeon LDLo intravenous 15mg/kg (15mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 20, 1935.
rabbit LDLo intramuscular 20mg/kg (20mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION Journal of Pharmacology and Experimental Therapeutics. Vol. 48, Pg. 410, 1933.
rabbit LDLo subcutaneous 60mg/kg (60mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 49, Pg. 187, 1933.
rat LDLo subcutaneous 15mg/kg (15mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 48, Pg. 410, 1933.

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