1,3,6,8(2H,7H)-Pyrenetetrone,2,7-dibromo- supplier

Name
2,7-DIBROMO-1,3,6,8(2H,7H)-PYRENETETRONE
EINECS 271-156-7
CAS No. 68516-49-4
Density 2.148 g/cm³
Solubility
Melting Point
Formula C₁₆H₆Br₂O₄
Boiling Point 628.2 °C at 760 mmHg
Molecular Weight 422.029
Flash Point 228.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,7-Dibromopyrene-1,3,6,8(2H,7H)-tetrone;2,7-Dibromo-1,3,6,5-pyrenetetraone;TSCA NDSL;
PSA 68.28000
LogP 3.12480

1,3,6,8(2H,7H)-Pyrenetetrone,2,7-dibromo- Specification

The 1,3,6,8(2H,7H)-Pyrenetetrone,2,7-dibromo-, with the CAS registry number 68516-49-4, is also known as 2,7-Dibromo-1,3,6,5-pyrenetetraone. Its EINECS number is 271-156-7. This chemical's molecular formula is C₁₆H₆Br₂O₄ and molecular weight is 422.02. What's more, its systematic name is 2,7-Dibromopyrene-1,3,6,8(2H,7H)-tetrone.

Physical properties of 1,3,6,8(2H,7H)-Pyrenetetrone,2,7-dibromo- are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.6; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.64; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 68.28 Å²; (13)Index of Refraction: 1.807; (14)Molar Refractivity: 84.53 cm³; (15)Molar Volume: 196.4 cm³; (16)Polarizability: 33.51×10^-24cm³; (17)Surface Tension: 91 dyne/cm; (18)Density: 2.148 g/cm³; (19)Flash Point: 228.5 °C; (20)Enthalpy of Vaporization: 92.96 kJ/mol; (21)Boiling Point: 628.2 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C3C(=CC=C4C3=C1C(=O)C(C4=O)Br)C(=O)C(C2=O)Br
(2)InChI: InChI=1S/C16H6Br2O4/c17-11-13(19)5-1-2-6-10-8(16(22)12(18)14(6)20)4-3-7(9(5)10)15(11)21/h1-4,11-12H
(3)InChIKey: IRGKJPHTQIWQTD-UHFFFAOYSA-N

Product Name

2,7-DIBROMO-1,3,6,8(2H,7H)-PYRENETETRONE

1,3,6,8(2H,7H)-Pyrenetetrone,2,7-dibromo- Specification

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