CAS No.434-85-5,Bianthrone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	434-85-5
Name:	Bianthrone
Article Data:	33

Formula:	C₂₈H₁₆O₂
Molecular Weight:	384.434
Synonyms:	10-(10-Oxo-9(10H)-anthracenylidene)-9(10H)-anthracenone;Dehydrodianthrone;10-(10-Oxo-9(10H)-anthracenylidene)-9(10H)-anthracenone;BAN;Bianthrone;Bisanthrone;Dehydrodianthrone;NSC 627656;NSC 89778;Dianthrone;
EINECS:	207-106-8
Density:	1.335 g/cm³
Melting Point:	300 °C
Boiling Point:	570.814 °C at 760 mmHg
Flash Point:	208.41 °C
Appearance:	yellow powder
Safety:	24/25
PSA:	34.14000
LogP:	5.78280

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Specification

The Bianthrone, with the CAS registry number 434-85-5, is also known as 10-(10-Oxo-9(10H)-anthracenylidene)-9(10H)-anthracenone. It belongs to the product categories of Industrial/Fine Chemicals; Colours; Dyes; Indicators & Pigments. Its EINECS registry number is 207-106-8. This chemical's molecular formula is C₂₈H₁₆O₂ and molecular weight is 384.43. What's more, its IUPAC name is 10-(10-Oxoanthracen-9-ylidene)anthracen-9-one. Additionally, it should be preserved hermetically. When you are dealing with this chemical, you should avoid contacting with skin and eyes.

Physical properties about Bianthrone: (1)ACD/LogP: 5.254; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 5794.88; (6)ACD/BCF (pH 7.4): 5794.88; (7)ACD/KOC (pH 5.5): 17186.18; (8)ACD/KOC (pH 7.4): 17186.18; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 114.715 cm³; (15)Molar Volume: 288.065 cm³; (16)Polarizability: 45.477×10^-24cm³; (17)Surface Tension: 62.43 dyne/cm; (18)Density: 1.335 g/cm³; (19)Flash Point: 208.41 °C; (20)Enthalpy of Vaporization: 85.606 kJ/mol; (21)Boiling Point: 570.814 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C; (23)Melting point: 300 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C5c1ccccc1\C(=C3/c2c(cccc2)C(=O)c4c3cccc4)c6ccccc56
(2) InChI: InChI=1S/C28H16O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H
(3) InChIKey: MGRRGKWPEVFJSH-UHFFFAOYSA-N