Name: 4,5,6,7-tetrachloro-2-hydroxy-1H-isoindole-1,3(2H)-dione
SKU: 85342-65-0

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Basic Information

Molecular Structure:
CAS No.:	85342-65-0
Name:	4,5,6,7-tetrachloro-2-hydroxy-1H-isoindole-1,3(2H)-dione
Article Data:	10

Formula:	C₈HCl₄NO₃
Molecular Weight:	300.913
Synonyms:	4,5,6,7-Tetrachloro-2-hydroxy-1H-isoindole-1,3(2H)-dione;
Density:	2.041 g/cm³
Boiling Point:	532.1 °C at 760 mmHg
Flash Point:	275.6 °C

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Specification

The 4,5,6,7-Tetrachloro-2-hydroxy-isoindole-1,3-dione, with the CAS registry number 85342-65-0, is also known as 4,5,6,7-Tetrachloro-2-hydroxy-1H-isoindole-1,3(2H)-dione. This chemical's molecular formula is C₈HCl₄NO₃ and molecular weight is 300.9104. What's more, both its IUPAC name and systematic name are the same which is called 4,5,6,7-Tetrachloro-2-hydroxyisoindole-1,3-dione.

Physical properties about 4,5,6,7-Tetrachloro-2-hydroxy-isoindole-1,3-dione are: (1) ACD/LogP: 2.38; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 1; (6) Polar Surface Area: 46.61 Å²; (7) Index of Refraction: 1.729; (8) Molar Refractivity: 58.81 cm³; (9) Molar Volume: 147.3 cm³; (10) Surface Tension: 90.5 dyne/cm; (11) Density: 2.041 g/cm³; (12) Flash Point: 275.6 °C; (13) Enthalpy of Vaporization: 85.03 kJ/mol; (14) Boiling Point: 532.1 °C at 760 mmHg; (15) Vapour Pressure: 3.74E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)N2O
(2) InChI: InChI=1/C8HCl4NO3/c9-3-1-2(4(10)6(12)5(3)11)8(15)13(16)7(1)14/h16H
(3) InChIKey: UTRBHXSKVVPTLY-UHFFFAOYAF