Basic information
- Name:
1H-Isoindole-1,3(2H)-dione,2-methyl-5-nitro-
- Superlist Name:
- 4-Nitro-N-methylphthalimide
- CAS No.:
41663-84-7
- Molecular Structure:

- Formula:
- C9H6N2O4
- Molecular Weight:
- 206.17
- Deleted CAS:
- 41463-84-7
- 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 Description:
- 26-36 Details
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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, |

