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Cas Database |
| Name |
2-Amino-5-nitrobenzoic acid |
EINECS | 210-493-6 |
| CAS No. | 616-79-5 | Density | 1.568 g/cm3 |
| PSA | 109.14000 | LogP | 1.97960 |
| Solubility | Insoluble in water | Melting Point |
270 °C (dec.)(lit.) |
| Formula | C7H6N2O4 | Boiling Point | 437.9 °C at 760 mmHg |
| Molecular Weight | 182.136 | Flash Point | 218.6 °C |
| Transport Information | N/A | Appearance | bright yellow powder |
| Safety | 26-36-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Anthranilic acid, 5-nitro- (6CI,7CI,8CI);5-Nitroanthranilic acid; |
Article Data | 54 |
2-Amino-5-nitrobenzoic acid Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: 5-nitroisatin With potassium hydroxide; dihydrogen peroxide for 0.5h; cooling; Stage #2: With sulfuric acid at 20℃; pH=1 - 2; | 98% |
| Stage #1: 5-nitroisatin With sodium hydroxide at 10℃; for 3h; Stage #2: With dihydrogen peroxide | 89.8% |
| With dihydrogen peroxide; sodium hydroxide at 10℃; for 3h; | 76.7% |
| With dihydrogen peroxide; sodium hydroxide |
- 616-79-5
2-amino-5-nitro-benzoic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2-(4,5-dihydrooxazol-2-yl)-4-nitroaniline With hydrogenchloride In water at 100℃; for 2h; Sealed tube; Stage #2: With sodium hydroxide In methanol; water at 100℃; for 1h; | 81% |
- 17420-30-3
5-nitroanthranilonitrile
- 616-79-5
2-amino-5-nitro-benzoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide; acetic acid for 6h; Heating; | 80% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-5-nitrobenzoic acid With copper(l) iodide; sodium azide; ethanol; caesium carbonate at 20 - 95℃; Inert atmosphere; Sealed tube; Stage #2: With hydrogenchloride In water pH=2 - 3; | 79% |
| With ammonium hydroxide at 140 - 150℃; |
| Conditions | Yield |
|---|---|
| With 4-amino-1,2,4-triazole; potassium tert-butylate In dimethyl sulfoxide for 4h; Ambient temperature; | 60% |
| With potassium tert-butylate; N,N-tetramethylene-thiocarbamoyl-sulphenamide In N,N-dimethyl-formamide at 20℃; for 0.333333h; | 18% |
- 5466-84-2
4-nitrophthalic anhydride
A
- 616-79-5
2-amino-5-nitro-benzoic acid
B
- 619-17-0
4-Nitroanthranilic acid
| Conditions | Yield |
|---|---|
| With ammonium hydroxide Behandeln des entstandenen Gemisches mit alkal. Natriumhypochlorit-Loesung; |
| Conditions | Yield |
|---|---|
| With ammonia at 130 - 140℃; |
- 13138-53-9
4-nitrophthalic amide
A
- 616-79-5
2-amino-5-nitro-benzoic acid
B
- 619-17-0
4-Nitroanthranilic acid
| Conditions | Yield |
|---|---|
| With alkaline aqueous potassium hypobromite |
- 91538-60-2
N-(2-formyl-4-nitrophenyl)acetamide
- 616-79-5
2-amino-5-nitro-benzoic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
- 91538-60-2
N-(2-formyl-4-nitrophenyl)acetamide
A
- 77242-30-9
(2-amino-5-nitrophenyl)methanol
B
- 616-79-5
2-amino-5-nitro-benzoic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 0℃; |
2-Amino-5-nitrobenzoic acid Chemical Properties
Molecular Structure of Benzoic acid, 2-amino-5-nitro- (CAS NO.616-79-5):
.gif)
IUPAC Name: 2-amino-5-nitrobenzoic acid
Empirical Formula: C7H6N2O4
Molecular Weight: 182.1335
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 3
Polar Surface Area: 75.36Å2
Index of Refraction: 1.681
Molar Refractivity: 43.96 cm3
Molar Volume: 116 cm3
Surface Tension: 83.3 dyne/cm
Density: 1.568 g/cm3
Flash Point: 218.6 °C
Enthalpy of Vaporization: 73.21 kJ/mol
Boiling Point: 437.9 °C at 760 mmHg
Vapour Pressure: 1.92E-08 mmHg at 25°C
Melting point: 270 °C (dec.)(lit.)
Water Solubility: Insoluble
BRN: 646219
EINECS: 210-493-6
InChI
InChI=1/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)
Smiles
c1(cc(ccc1N)[N+](=O)[O-])C(O)=O
Product Categories: Fine chemical & intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; pharmacetical
2-Amino-5-nitrobenzoic acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 2
Hazard Note: Irritant
2-Amino-5-nitrobenzoic acid Specification
Benzoic acid, 2-amino-5-nitro- , with CAS number of 616-79-5, can be called 2-Amino-5-nitrobenzoic acid ; 5-Nitroanthranilic acid ; Anthranilic acid, 5-nitro- (8CI) . It is a bright yellow powder.
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