Molecular structure of N-Phenyltetrachlorophthalimide (CAS NO.31039-74-4) is:
Product Name: N-Phenyltetrachlorophthalimide
CAS Registry Number: 31039-74-4
IUPAC Name: 4,5,6,7-tetrachloro-2-Phenylisoindole-1,3-dione
Molecular Weight: 361.007 [g/mol]
Molecular Formula: C14H5Cl4NO2
XLogP3-AA: 5
H-Bond Donor: 0
H-Bond Acceptor: 2
Index of Refraction: 1.686
Molar Refractivity: 81.66 cm3
Molar Volume: 214.5 cm3
Surface Tension: 65.9 dyne/cm
Density: 1.682 g/cm3
Flash Point: 276 °C
Enthalpy of Vaporization: 80.85 kJ/mol
Boiling Point: 532.7 °C at 760 mmHg
Vapour Pressure: 2E-11 mmHg at 25°C
Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl
InChI: InChI=1S/C14H5Cl4NO2/c15-9-7-8(10(16)12(18)11(9)17)14(21)19(13(7)20)6-4-2-1-3-5-6/h1-5H
InChIKey: LPTOKNBNQSVVQO-UHFFFAOYSA-N
N-Phenyltetrachlorophthalimide , its cas register number is 31039-74-4. It also can be called 3,4,5,6-Tetrachloro-N-phenylphthalimide ; 4,5,6,7-Tetrachloro-2-phenylisoindole-1,3-dione .
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