6-Nitroisoindoline-1-one supplier

Name
6-NITRO-ISOINDOLIN-1-ONE
EINECS
CAS No. 110568-64-4
Article Data16
CAS DataBase
Density 1.45 g/cm³
Solubility
Melting Point 253 °C (decomp)
Formula C₈H₆N₂O₃
Boiling Point 487.473 °C at 760 mmHg
Molecular Weight 178.147
Flash Point 248.615 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Nitro-2,3-dihydroisoindol-1-one;6-Nitroisoindolin-1-one;
PSA 74.92000
LogP 1.69020

6-Nitroisoindoline-1-one Specification

The 1H-Isoindol-1-one,2,3-dihydro-6-nitro-, with the CAS registry number 110568-64-4, is also known as 6-Nitroisoindolin-1-one. This chemical's molecular formula is C₈H₆N₂O₃ and molecular weight is 178.14. What's more, its systematic name is 6-nitro-2,3-dihydro-1H-isoindol-1-one.

Physical properties of 1H-Isoindol-1-one,2,3-dihydro-6-nitro- are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 24; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 74.92 Å²; (9)Index of Refraction: 1.632; (10)Molar Refractivity: 43.84 cm³; (11)Molar Volume: 122.897 cm³; (12)Surface Tension: 60.632 dyne/cm; (13)Density: 1.45 g/cm³; (14)Flash Point: 248.615 °C; (15)Enthalpy of Vaporization: 75.339 kJ/mol; (16)Boiling Point: 487.473 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1cc2C(=O)NCc2cc1
(2)InChI: InChI=1S/C8H6N2O3/c11-8-7-3-6(10(12)13)2-1-5(7)4-9-8/h1-3H,4H2,(H,9,11)
(3)InChIKey: QKFIHDGZIPOWKP-UHFFFAOYSA-N

Product Name

6-NITRO-ISOINDOLIN-1-ONE

6-Nitroisoindoline-1-one Specification

Related Products

Hot Products