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| CAS No.: | 41663-84-7 |
|---|---|
| Name: | 4-Nitro-N-methylphthalimide |
| Molecular Structure: | |
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|
|
| Formula: | C9H6N2O4 |
| Molecular Weight: | 206.158 |
| Synonyms: | Phthalimide,N-methyl-4-nitro- (6CI,7CI);N-Methyl-4-nitrophthalimide; |
| EINECS: | 255-483-2 |
| Density: | 1.533 g/cm3 |
| Melting Point: | 94-98 °C(lit.) |
| Boiling Point: | 361.1 °C at 760 mmHg |
| Flash Point: | 172.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/38 |
| Safety: | 26-36 |
| PSA: | 83.20000 |
| LogP: | 1.28170 |
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- 550-44-7
N-methylphthalimide
- 41663-84-7
4-nitro-N-methyl-phthalimide
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at 60℃; for 0.05h; Temperature; | 96% |
| With sulfuric acid; nitric acid at 30℃; for 3h; Temperature; | 94% |
| With sulfuric acid; potassium nitrate at -5 - 40℃; for 4h; Reagent/catalyst; Temperature; | 91% |
| Conditions | Yield |
|---|---|
| With potassium fluoride on basic alumina In 2-methyltetrahydrofuran for 5h; Inert atmosphere; Reflux; chemoselective reaction; | 91% |
| With potassium carbonate In N,N-dimethyl-formamide at 130℃; for 1h; | 60% |
| With potassium carbonate; N,N-dimethyl-formamide at 135 - 145℃; | |
| With potassium carbonate In N,N-dimethyl-formamide at 70 - 110℃; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With N,N,N,N,-tetramethylethylenediamine In N,N-dimethyl-formamide at 95℃; for 12h; | 86% |
- 512-56-1
trimethyl phosphite
- 5330-05-2
4-nitrophthalimide potassium salt
- 41663-84-7
4-nitro-N-methyl-phthalimide
| Conditions | Yield |
|---|---|
| With N,N-dimethyl-formamide at 125 - 130℃; |
- 5330-05-2
4-nitrophthalimide potassium salt
- 74-88-4
methyl iodide
- 41663-84-7
4-nitro-N-methyl-phthalimide
| Conditions | Yield |
|---|---|
| With N,N-dimethyl-formamide at 135 - 145℃; |
- 550-44-7
N-methylphthalimide
A
- 2593-81-9
N-methyl-3-nitrophthalimide
B
- 41663-84-7
4-nitro-N-methyl-phthalimide
| Conditions | Yield |
|---|---|
| With nitric acid; Sulfate; zirconium(IV) oxide In tetrachloromethane at 20℃; for 17h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
- 106-44-5
p-cresol
- 72709-48-9
Sodium; 2-methylcarbamoyl-4-nitro-benzoate
- 72709-50-3
Sodium; 2-methylcarbamoyl-5-nitro-benzoate
A
- 72709-41-2
N-Methyl-4-(4-methylphenoxy)phthalimide
B
- 27507-54-6
oxo-bis-4,4'-(N-methylphthalimide)
C
- 41663-84-7
4-nitro-N-methyl-phthalimide
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 142℃; for 3.5h; |
- 41663-84-7
4-nitro-N-methyl-phthalimide
| Conditions | Yield |
|---|---|
| at 175 - 180℃; |
| Conditions | Yield |
|---|---|
| Stage #1: 4-nitrophthalic anhydride; methylamine In ethanol at 0℃; for 2h; Stage #2: With acetic anhydride for 0.25h; Reflux; | 4.9 g |
- 5466-84-2
4-nitrophthalic anhydride
- 41663-84-7
4-nitro-N-methyl-phthalimide
| Conditions | Yield |
|---|---|
| With acetic anhydride; methylamine In ethanol |
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Specification
The IUPAC name of 4-Nitro-N-methylphthalimide is 2-methyl-5-nitroisoindole-1,3-dione. With the CAS registry number 41663-84-7, it is also named as 1H-Isoindole-1,3(2H)-dione, 2-methyl-5-nitro-. The product's categories are Miscellaneous; N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides. Besides, it should be stored in sealed, cool, dry place. In addition, its molecular formula is C9H6N2O4 and molecular weight is 206.16.
The other characteristics of this product can be summarized as: (1)EINECS: 255-483-2; (2)XLogP3: 1.2; (3)H-Bond Donor: 0; (4)H-Bond Acceptor: 4; (5)Rotatable Bond Count: 0; (6)Exact Mass: 206.032757; (7)MonoIsotopic Mass: 206.032757; (8)Topological Polar Surface Area: 83.2; (9)Heavy Atom Count: 15; (10)Complexity: 336; (11)Melting Point: 94-98 °C; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 48.89 cm3; (14)Molar Volume: 134.4 cm3; (15)Polarizability: 19.38×10-24 cm3; (16)Surface Tension: 68.1 dyne/cm; (17)Density: 1.533 g/cm3; (18)Flash Point: 172.2 °C; (19)Enthalpy of Vaporization: 60.69 kJ/mol; (20)Boiling Point: 361.1 °C at 760 mmHg; (21)Vapour Pressure: 2.12E-05 mmHg at 25 °C.
Preparation of 4-Nitro-N-methylphthalimide: this chemical can be prepared by the reaction of 5-Nitro-isoindole-1,3-dione with Iodomethane.
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This reaction needs K2CO3 and Dimethylformamide at temperature of 130 °C. The reaction time is 1 hour. The yield is 60 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]
(2)InChI: InChI=1S/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3
(3)InChIKey: JBCHWGTZAAZJKG-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD | skin | > 2gm/kg (2000mg/kg) | National Technical Information Service. Vol. OTS0540086, | |
| rat | LD50 | oral | 2800mg/kg (2800mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0540086, |
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