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610-30-0

Basic Information
CAS No.: 610-30-0
Name: 2,4-Dinitrobenzoic acid
Article Data: 65
Molecular Structure:
Molecular Structure of 610-30-0 (2,4-Dinitrobenzoic acid)
Formula: C7H4N2O6
Molecular Weight: 212.119
Synonyms: 1-Carboxy-2,4-dinitrobenzene;2,4-Dinitrobenzoic acid;NSC 243713;
EINECS: 210-219-5
Density: 1.688 g/cm3
Melting Point: 176-180 °C(lit.)
Boiling Point: 412.8 °C at 760 mmHg
Flash Point: 187.3 °C
Solubility: dioxane: 50 mg/mL, clear
Appearance: pale yellow crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 128.94000
LogP: 2.24760
Synthetic route

2-amino-4-nitro-6-hydroxy(isopropylbenzene)

610-30-0

2,4-dinitrobenzoic acid

Conditions
ConditionsYield
With 2-(methoxymethoxy)ethanol; trimethylantimony at 50℃; for 4.33333h; Temperature;97%
121-14-2

2,4-dinitrotoluene

610-30-0

2,4-dinitrobenzoic acid

Conditions
ConditionsYield
With dihydrogen peroxide In water at 60℃; for 0.5h; Temperature; Sonication;96.3%
With potassium permanganate; water; magnesium sulfate at 75℃; for 3h; pH=7;90.7%
With cobalt(II) acetate; ozone; acetic acid at 30℃; Product distribution; Equilibrium constant; Further Variations:; Temperatures; Reagents;73.8%
121-14-2

2,4-dinitrotoluene

64-19-7

acetic acid

A

Acetic acid (2E,4E)-1-hydroperoxy-5-methyl-2,4-dinitro-6-oxo-hexa-2,4-dienyl ester

B

528-75-6

2,4-dinitrobenzaldehyde

C

610-30-0

2,4-dinitrobenzoic acid

Conditions
ConditionsYield
With oxygen; ozone at 29.85℃; for 2.5h; Kinetics; Further Variations:; Temperatures;A 61%
B 6%
C 28%
34103-64-5, 36243-70-6, 41536-84-9, 78779-97-2

N-((5R)-2c-hydroxy-3,3-dimethyl-4t,7-dioxo-(5rH)-4λ4-thia-1-aza-bicyclo[3.2.0]hept-6t-yl)-2-phenyl-acetamide

20195-22-6

2,4-dinitrobenzoyl chloride

A

41536-89-4

N-[(5R)-2ξ-(2,4-dinitro-benzoyloxy)-3,3-dimethyl-4t,7-dioxo-(5rH)-4λ4-thia-1-aza-bicyclo[3.2.0]hept-6t-yl]-2-phenyl-acetamide

B

610-30-0

2,4-dinitrobenzoic acid

Conditions
ConditionsYield
With pyridine In tetrahydrofuran; benzeneA n/a
B 60%

2,6,8,12-tetraacetyl-10-(2,4-dinitrobenzyl)-4-nitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.03,11.05,9]dodecane

A

610-30-0

2,4-dinitrobenzoic acid

B

2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.03,11.05,9]dodecane

Conditions
ConditionsYield
With ammonium nitrate; nitric acid Reflux;A 31%
B 57.2%
2220-30-6

1,2-Bis(2,4-dinitrophenyl)ethane

610-30-0

2,4-dinitrobenzoic acid

Conditions
ConditionsYield
With perhydrodibenzo-18-crown-6; potassium permanganate In benzene at 20℃; for 5h; Reagent/catalyst; Solvent;53.86%
528-75-6

2,4-dinitrobenzaldehyde

610-30-0

2,4-dinitrobenzoic acid

Conditions
ConditionsYield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; laccase from Trametes versicolor; oxygen In water at 20℃; for 144h; Enzymatic reaction;30%
With silver(I) acetate; acetic acid
With silver nitrate; acetic acid
1204-29-1

1-ethyl-2,4-dinitrobenzene

610-30-0

2,4-dinitrobenzoic acid

Conditions
ConditionsYield
With nitric acid
4110-33-2

2,4-dinitrobenzonitrile

610-30-0

2,4-dinitrobenzoic acid

Conditions
ConditionsYield
With sulfuric acid
861782-20-9

2-nitro-4-nitroso-benzoic acid

610-30-0

2,4-dinitrobenzoic acid

Conditions
ConditionsYield
With nitric acid
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  • 2,4-Dinitrobenzoic acid

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    2,4-Dinitrobenzoic acid

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    2,4-DINITROBENZOIC ACID

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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  • 2,4-Dinitrobenzoic acid

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    2,4-Dinitrobenzoic acid

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    2,4-DINITROBENZOIC ACID

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  • 2,4-Dinitrobenzoic acid

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    610-30-0

    2,4-Dinitrobenzoic acid

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    more information,please contact us

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Specification

The 2,4-Dinitrobenzoic acid, with CAS registry number 610-30-0, belongs to the following product categories: (1)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; (2)C7; (3)Carbonyl Compounds; (4)Carboxylic Acids. It has the systematic name of 2,4-dinitrobenzoic acid. This chemical is a kind of pale yellow crystalline powder. What's more, its EINECS is 210-219-5.

Physical properties of 2,4-Dinitrobenzoic acid: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -1.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 117.94 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 46.27 cm3; (15)Molar Volume: 125.6 cm3; (16)Polarizability: 18.34×10-24cm3; (17)Surface Tension: 83.9 dyne/cm; (18)Density: 1.688 g/cm3; (19)Flash Point: 187.3 °C; (20)Enthalpy of Vaporization: 70.17 kJ/mol; (21)Boiling Point: 412.8 °C at 760 mmHg; (22)Vapour Pressure: 1.48E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-methyl-2,4-dinitro-benzene. This reaction will need reagents sodium dichromate, H2SO4.

Uses of 2,4-Dinitrobenzoic acid: it can be used to produce 2,4-dinitro-benzoyl chloride. This reaction will need reagent thionyl chloride.

When you are using this chemical, please be cautious about it as the following:
The 2,4-Dinitrobenzoic acid irritates to eyes, respiratory system and skin. 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.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1C(=O)O)[N+]([O-])=O
(2)InChI: InChI=1/C7H4N2O6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3H,(H,10,11)
(3)InChIKey: ZIIGSRYPZWDGBT-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H4N2O6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3H,(H,10,11)
(5)Std. InChIKey: ZIIGSRYPZWDGBT-UHFFFAOYSA-N