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Cas Database |
| Name |
2,4-Dinitrobenzoic acid |
EINECS | 210-219-5 |
| CAS No. | 610-30-0 | Density | 1.688 g/cm3 |
| PSA | 128.94000 | LogP | 2.24760 |
| Solubility | dioxane: 50 mg/mL, clear | Melting Point |
176-180 °C(lit.) |
| Formula | C7H4N2O6 | Boiling Point | 412.8 °C at 760 mmHg |
| Molecular Weight | 212.119 | Flash Point | 187.3 °C |
| Transport Information | N/A | Appearance | pale yellow crystalline powder |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-Carboxy-2,4-dinitrobenzene;2,4-Dinitrobenzoic acid;NSC 243713; |
Article Data | 65 |
2,4-Dinitrobenzoic acid Synthetic route
- 610-30-0
2,4-dinitrobenzoic acid
| Conditions | Yield |
|---|---|
| With 2-(methoxymethoxy)ethanol; trimethylantimony at 50℃; for 4.33333h; Temperature; | 97% |
| Conditions | Yield |
|---|---|
| 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
B
- 528-75-6
2,4-dinitrobenzaldehyde
C
- 610-30-0
2,4-dinitrobenzoic acid
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With pyridine In tetrahydrofuran; benzene | A n/a B 60% |
A
- 610-30-0
2,4-dinitrobenzoic acid
| Conditions | Yield |
|---|---|
| With ammonium nitrate; nitric acid Reflux; | A 31% B 57.2% |
| Conditions | Yield |
|---|---|
| With perhydrodibenzo-18-crown-6; potassium permanganate In benzene at 20℃; for 5h; Reagent/catalyst; Solvent; | 53.86% |
| Conditions | Yield |
|---|---|
| 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 |
| Conditions | Yield |
|---|---|
| With nitric acid |
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 861782-20-9
2-nitro-4-nitroso-benzoic acid
- 610-30-0
2,4-dinitrobenzoic acid
| Conditions | Yield |
|---|---|
| With nitric acid |
2,4-Dinitrobenzoic acid 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.
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Uses of 2,4-Dinitrobenzoic acid: it can be used to produce 2,4-dinitro-benzoyl chloride. This reaction will need reagent thionyl chloride.
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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
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