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| CAS No.: | 89-40-7 |
|---|---|
| Name: | 4-Nitrophthalimide |
| Article Data: | 59 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H4N2O4 |
| Molecular Weight: | 192.131 |
| Synonyms: | Phthalimide, 4-nitro- (6CI,7CI,8CI); |
| EINECS: | 201-905-5 |
| Density: | 1.609 g/cm3 |
| Melting Point: | 206 °C |
| Boiling Point: | 328.09°C (rough estimate) |
| Solubility: | <0.01 g/100 mL at 18 °C in water |
| Appearance: | slight yellow powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26-36 |
| PSA: | 91.99000 |
| LogP: | 1.33040 |
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| Conditions | Yield |
|---|---|
| With formamide In neat (no solvent) for 0.25h; Reagent/catalyst; Milling; Heating; Green chemistry; | 95% |
| With formamide for 0.0333333h; microwave irradiation; | 90% |
| With formamide In 1-methyl-pyrrolidin-2-one at 170 - 180℃; | 90.15% |
| With formamide for 0.05h; microwave irradiation; | 64% |
| With ammonia in Schmelze; |
- 136918-14-4
phthalimide
- 89-40-7
4-nitrophthalimide
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at 10 - 25℃; for 12h; | 94% |
| With sulfuric acid; nitric acid | 87% |
| With sulfuric acid; nitric acid at 0℃; for 5h; | 85% |
- 22246-24-8
5-nitro-2,3-dihydroinden-1-one
- 89-40-7
4-nitrophthalimide
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide; ammonium hydroxide; oxygen; chlorobenzene In N,N-dimethyl-formamide at 100℃; under 15001.5 Torr; for 24h; Autoclave; Green chemistry; | 83% |
| Conditions | Yield |
|---|---|
| tetrakis(triphenylphosphine) palladium(0) In 1-methyl-pyrrolidin-2-one at 135 - 140℃; for 12h; | A 68% B 8.6 g |
- 105969-98-0
2-hydroxy-6-nitro-1H-isoindole-1,3-dione
- 89-40-7
4-nitrophthalimide
| Conditions | Yield |
|---|---|
| With potassium acetate; bis(pinacol)diborane In methanol at 50℃; for 2h; chemoselective reaction; | 56% |
| Conditions | Yield |
|---|---|
| With potassium dichromate; sulfuric acid |
- 13138-53-9
4-nitrophthalic amide
- 89-40-7
4-nitrophthalimide
| Conditions | Yield |
|---|---|
| With ammonium; ammonia at 25℃; Equilibrium constant; Rate constant; Mechanism; reagent concentration, pH varied; |
- 89-40-7
4-nitrophthalimide
| Conditions | Yield |
|---|---|
| at 220 - 230℃; |
| Conditions | Yield |
|---|---|
| at 220 - 230℃; |
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Chemistry
Molecule structure of 4-Nitrophthalimide (CAS NO.89-40-7):
IUPAC Name: 5-Nitroisoindole-1,3-dione
Molecular Weight: 192.12836 g/mol
Molecular Formula: C8H4N2O4
Density: 1.609 g/cm3
Melting Point: 206 °C
Index of Refraction: 1.657
Molar Refractivity: 43.97 cm3
Molar Volume: 119.3 cm3
Polarizability: 17.43×10-24 cm3
Surface Tension: 72.2 dyne/cm
Water Solubility: <0.01 g/100 mL at 18 °C
XLogP3: 1
H-Bond Donor: 1
H-Bond Acceptor: 4
Tautomer Count: 3
Exact Mass: 192.017107
MonoIsotopic Mass: 192.017107
Topological Polar Surface Area: 89.3
Heavy Atom Count: 14
Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC2=O
InChI: InChI=1S/C8H4N2O4/c11-7-5-2-1-4(10(13)14)3-6(5)8(12)9-7/h1-3H,(H,9,11,12)
InChIKey: ANYWGXDASKQYAD-UHFFFAOYSA-N
EINECS: 201-905-5
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; N; Stains and Dyes; Stains&Dyes, A to
Uses
4-Nitrophthalimide (89-40-7) can be used for intermediates of organic synthesis and fluorescent dye.
Production
The product is derived by nitration of phthalimide.
Toxicity Data With Reference
| 1. | mmo-sat 333 µg/plate | EMMUEG Environmental and Molecular Mutagenesis. 11 (Suppl 12)(1988),1. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26-36
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RTECS: TI5625000
Hazard Note: Irritant
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Specification
4-Nitrophthalimide (CAS NO.89-40-7) is also named as 1H-Isoindole-1,3(2H)-dione, 5-nitro- ; 5-21-11-00158 (Beilstein Handbook Reference) ; 5-Nitrophthalimide ; AI3-00701 ; BRN 0180224 ; CCRIS 4685 ; NSC 5394 . 4-Nitrophthalimide (CAS NO.89-40-7) is slight yellow powder. It is insoluble in water and can be hydrolyzed. It is a nitrated amine. Amines are chemical bases and combustible. The combustion of amines yields noxious NOx. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.