- 3-Nitrophthalic acid
- 3-Nitrophthalic anhydride
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Cas Database |
| Name |
3-Nitrophthalic acid |
EINECS | 210-030-8 |
| CAS No. | 603-11-2 | Density | 1.671 g/cm3 |
| PSA | 120.42000 | LogP | 1.51440 |
| Solubility | 20 g/L (25 °C) in water | Melting Point |
210 °C (dec.)(lit.) |
| Formula | C8H5NO6 | Boiling Point | 441.3 °C at 760 mmHg |
| Molecular Weight | 211.131 | Flash Point | 199.4 °C |
| Transport Information | N/A | Appearance | pale yellow crystals |
| Safety | 26-36/39-37/39-36 | Risk Codes | 36/37/38-41 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Phthalic acid, 3-nitro- (6CI,7CI,8CI);3-Nitro-1,2-benzenedicarboxylic acid; |
Article Data | 74 |
3-Nitrophthalic acid Synthetic route
- 13365-26-9
dimethyl 3-nitrophthalate
- 603-11-2
3-nitrophthalic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol for 2h; Reflux; | 93% |
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at 80 - 110℃; | A 80% B n/a |
| With sulfuric acid; nitric acid | |
| With sulfuric acid; nitric acid at 25℃; |
- 603-11-2
3-nitrophthalic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water pH=2; | 56% |
| Conditions | Yield |
|---|---|
| With boron trifluoride; nitric acid; acetic acid | |
| durch Nitrierung; | |
| durch Nitrieren; |
- 42760-46-3
7-nitro-3H-isobenzofuran-1-one
- 603-11-2
3-nitrophthalic acid
| Conditions | Yield |
|---|---|
| With nitric acid im geschlossenen Rohr; |
| Conditions | Yield |
|---|---|
| With nitric acid |
- 65399-18-0
4-nitrophthalide
- 603-11-2
3-nitrophthalic acid
| Conditions | Yield |
|---|---|
| With nitric acid im geschlossenen Rohr; |
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide; acetic acid |
| Conditions | Yield |
|---|---|
| With potassium permanganate | |
| With chromium(VI) oxide; acetic acid |
| Conditions | Yield |
|---|---|
| With nitric acid at 170 - 180℃; im geschlossenen Rohr; | |
| Stage #1: 2,3-dimethylnitrobenzene With oxygen; nitric acid at 145 - 150℃; under 26252.6 - 30003 Torr; for 8h; Stage #2: With oxygen; nitric acid at 130 - 140℃; under 26252.6 - 30003 Torr; for 30h; Pressure; Temperature; | 25.2 g |
3-Nitrophthalic acid Chemical Properties
Molecule structure of 3-Nitrophthalic acid (CAS NO.603-11-2):
IUPAC Name: 3-Nitrophthalic acid
Molecular Weight: 211.1284 g/mol
Molecular Formula: C8H5NO6
Density: 1.671 g/cm3
Melting Point: 210 °C (dec.)(lit.)
Boiling Point: 441.3 °C at 760 mmHg
Flash Point: 199.4 °C
Index of Refraction: 1.66
Molar Refractivity: 46.65 cm3
Molar Volume: 126.3 cm3
Surface Tension: 88 dyne/cm
Enthalpy of Vaporization: 73.63 kJ/mol
Vapour Pressure: 1.45E-08 mmHg at 25 °C
Water Solubility: 20 g/L (25 °C)
XLogP3: 0.7
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 2
Exact Mass: 211.011687
MonoIsotopic Mass: 211.011687
Topological Polar Surface Area: 118
Heavy Atom Count: 15
Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
InChI: InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey: KFIRODWJCYBBHY-UHFFFAOYSA-N
EINECS: 210-030-8
Product Categories: Phthalic Acids, Esters and Derivatives; Organics; Organic acids; Dyes intermediates; C8; Carbonyl Compounds; Carboxylic Acids
3-Nitrophthalic acid Uses
3-Nitrophthalic acid is mainly used as sensitive materials and pharmaceutical intermediates. It is available for the preparation of medicines, dyes, crop protection agents in organic synthesis.
3-Nitrophthalic acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38-41
R36/37/38:Irritating to eyes, respiratory system and skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-36/39-37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S39:Wear eye / face protection.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29173980
A preparative hazard. When heated to decomposition it emits toxic fumes of NOx.
3-Nitrophthalic acid Specification
3-Nitrophthalic acid (CAS NO.603-11-2) is also named as AI3-02074 ; NSC 3120 ; 1,2-Benzenedicarboxylic acid, 3-nitro- ; Phthalic acid, 3-nitro- (8CI) . 3-Nitrophthalic acid (CAS NO.603-11-2) is pale yellow crystals. It is soluble in water, methanol, ethanol, slightly soluble in ether, insoluble in chloroform, carbon tetrachloride, carbon disulfide, benzene. 3-Nitrophthalic acid is stable and incompatible with strong oxidizing agents.
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