CAS No.84632-50-8,Benzonitrile, 3,3-(2,3,5,6-tetrahydro-3,6-dioxopyrrolo3,4-cpyrrole-1,4-diyl)bis- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	84632-50-8
Name:	Benzonitrile, 3,3-(2,3,5,6-tetrahydro-3,6-dioxopyrrolo3,4-cpyrrole-1,4-diyl)bis-

Formula:	C₂₀H₈N₄O₂
Molecular Weight:	338.325
Synonyms:	Pyrrolo[3,4-c]pyrrole,benzonitrile deriv.;1,4-Diketo-3,6-di(3-cyanophenyl)pyrrolo(3,4-c)pyrrole;3,6-Bis(3-cyanophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione;C.I. 561200;C.I. Pigment Orange 71;Cromophtal DPP Orange TR;Cromophtal DPP Orange TRP;DPP Orange TR;DPP Orange TRP;PO 71;Pigment Orange 71;
Density:	1.41 g/cm³
Boiling Point:	564.9 °C at 760 mmHg
Flash Point:	295.4 °C
Solubility:	13μg/L at 20℃
PSA:	113.30000
LogP:	2.68316

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Specification

The Benzonitrile,3,3'-(2,3,5,6-tetrahydro-3,6-dioxopyrrolo[3,4-c]pyrrole-1,4-diyl)bis-, with the CAS registry number 214360-49-3, is also known as 3,6-Bis(3-cyanophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione. This chemical's molecular formula is C₂₀H₈N₄O₂ and molecular weight is 336.3031. What's more, its systematic name is 3,3'-(3,6-Dioxo-3,6-dihydropyrrolo[3,4-c]pyrrole-1,4-diyl)dibenzonitrile.

Physical properties about Benzonitrile,3,3'-(2,3,5,6-tetrahydro-3,6-dioxopyrrolo[3,4-c]pyrrole-1,4-diyl)bis-: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 23.52; (5)ACD/KOC (pH 7.4): 23.52; (6)#H bond acceptors: 6; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 106.44 Å²; (10)Index of Refraction: 1.742; (11)Molar Refractivity: 96.16 cm³; (12)Molar Volume: 237.9 cm³; (13)Surface Tension: 63.8 dyne/cm; (14)Density: 1.41 g/cm³; (15)Flash Point: 295.4 °C; (16)Enthalpy of Vaporization: 84.86 kJ/mol; (17)Boiling Point: 564.9 °C at 760 mmHg; (18)Vapour Pressure: 8.8E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2/N=C(\C=1C(=O)\N=C(/C=12)c3cccc(C#N)c3)c4cccc(C#N)c4
(2) InChI: InChI=1/C20H8N4O2/c21-9-11-3-1-5-13(7-11)17-15-16(20(26)23-17)18(24-19(15)25)14-6-2-4-12(8-14)10-22/h1-8H
(3) InChIKey: DGXNSWNQYGBXKV-UHFFFAOYAA