4-Nitroisoindolin-1-one supplier

Name
4-Nitroisoindolin-1-one
EINECS
CAS No. 366452-97-3
Article Data11
CAS DataBase
Density 1.45 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O₃
Boiling Point 488.773 °C at 760 mmHg
Molecular Weight 178.14
Flash Point 249.401 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-nitro-2,3-dihydro-1H-isoindol-1-one
PSA 74.92000
LogP 1.69020

4-Nitroisoindolin-1-one Specification

The 4-Nitroisoindolin-1-one is an organic compound with the formula C₈H₆N₂O₃. The systematic name of this chemical is 4-nitro-2,3-dihydro-1H-isoindol-1-one. With the CAS registry number 366452-97-3, it is also named as 4-nitro-1-isoindolinone.

Physical properties about 4-Nitroisoindolin-1-one are: (1)ACD/LogP: 0.78; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 24; (5)ACD/KOC (pH 7.4): 24; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 74.92 Å²; (10)Index of Refraction: 1.632; (11)Molar Refractivity: 43.84 cm³; (12)Molar Volume: 122.897 cm³; (13)Polarizability: 17.379×10^-24cm³; (14)Surface Tension: 60.632 dyne/cm; (15)Density: 1.45 g/cm³; (16)Flash Point: 249.401 °C; (17)Enthalpy of Vaporization: 75.495 kJ/mol; (18)Boiling Point: 488.773 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c2cccc1C(=O)NCc12
(2)InChI: InChI=1/C8H6N2O3/c11-8-5-2-1-3-7(10(12)13)6(5)4-9-8/h1-3H,4H2,(H,9,11)
(3)InChIKey: RTDDSWLIZLMORY-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H6N2O3/c11-8-5-2-1-3-7(10(12)13)6(5)4-9-8/h1-3H,4H2,(H,9,11)
(5)Std. InChIKey: RTDDSWLIZLMORY-UHFFFAOYSA-N

Product Name

4-Nitroisoindolin-1-one

4-Nitroisoindolin-1-one Specification

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