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N-Ethyl-3-nitrophthalimide

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Name

N-Ethyl-3-nitrophthalimide

EINECS N/A
CAS No. 2778-84-9 Density 1.448g/cm3
PSA 83.20000 LogP 1.67180
Solubility N/A Melting Point N/A
Formula C10H8 N2 O4 Boiling Point 381 °C at 760 mmHg
Molecular Weight 220.185 Flash Point 184.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2778-84-9 (N-Ethyl-3-nitrophthalimide) Hazard Symbols N/A
Synonyms

Phthalimide,N-ethyl-3-nitro- (6CI,7CI,8CI);N-Ethyl-3-nitrophthalimide;NSC 58185;

Article Data 11

N-Ethyl-3-nitrophthalimide Specification

The N-Ethyl-3-nitrophthalimide, with CAS registry number 2778-84-9, has the systematic name of 2-ethyl-4-nitro-1H-isoindole-1,3(2H)-dione. And its IUPAC name is 2-ethyl-4-nitroisoindole-1,3-dione. Besides this, it is also called 1H-isoindole-1,3(2H)-dione, 2-ethyl-4-nitro-.

Physical properties about this chemical are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 83.2 Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 53.51 cm3; (9)Molar Volume: 151.9 cm3; (10)Polarizability: 21.21×10-24cm3; (11)Surface Tension: 61.8 dyne/cm; (12)Enthalpy of Vaporization: 62.92 kJ/mol; (13)Vapour Pressure: 5.24E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2c1C(=O)N(C2=O)CC
(2)InChI: InChI=1/C10H8N2O4/c1-2-11-9(13)6-4-3-5-7(12(15)16)8(6)10(11)14/h3-5H,2H2,1H3
(3)InChIKey: OFJQZKXNQMOMHY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H8N2O4/c1-2-11-9(13)6-4-3-5-7(12(15)16)8(6)10(11)14/h3-5H,2H2,1H3
(5)Std. InChIKey: OFJQZKXNQMOMHY-UHFFFAOYSA-N

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