-
Name
3-Nitrophthalimide
- EINECS 210-051-2
- CAS No. 603-62-3
- Article Data32
- CAS DataBase
- Density 1.609 g/cm3
- Solubility Insoluble in water.
- Melting Point 213-215 °C(lit.)
- Formula C8H4N2O4
- Boiling Point 328.09°C (rough estimate)
- Molecular Weight 192.131
- Flash Point
- Transport Information
- Appearance yellow to straw-yellow crystalline powder
- Safety 26-37/39-24/25
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Phthalimide,3-nitro- (6CI,7CI,8CI);
- PSA 91.99000
- LogP 1.33040
3-Nitrophthalimide Chemical Properties
Molecule structure of 3-Nitrophthalimide (CAS NO.603-62-3):
IUPAC Name: 4-Nitroisoindole-1,3-dione
Molecular Weight: 192.12836 g/mol
Molecular Formula: C8H4N2O4
Density: 1.609 g/cm3
Melting Point: 213-215 °C(lit.)
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
XLogP3-AA: 0.5
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/c11-7-4-2-1-3-5(10(13)14)6(4)8(12)9-7/h1-3H,(H,9,11,12)
InChIKey: BONIIQYTWOPUQI-UHFFFAOYSA-N
EINECS: 210-051-2
Product Categories: Heterocycles; Miscellaneous; N; Stains and Dyes; Stains&Dyes, A to
3-Nitrophthalimide Uses
3-Nitrophthalimide (CAS NO.603-62-3) is used as intermediates of pigment, organic synthesis and pharmaceutical.
3-Nitrophthalimide Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39: Wear suitable gloves and eye/face protection.
S24/25: Avoid contact with skin and eyes.
WGK Germany: 3
3-Nitrophthalimide Specification
3-Nitrophthalimide (CAS NO.603-62-3) is also named as AI3-08841 ; NSC 5393 ; Phthalimide, 3-nitro- ; 1H-Isoindole-1,3(2H)-dione, 4-nitro- . 3-Nitrophthalimide (CAS NO.603-62-3) is yellow to straw-yellow crystalline powder.
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