9,10-Anthracenedione,1,2,6-trihydroxy- supplier

Name
1,2,6-trihydroxyanthracene-9,10-dione
EINECS
CAS No. 82-29-1
Density 1.659 g/cm³
Solubility
Melting Point 330°C
Formula C₁₄H₈O₅
Boiling Point 462 °C at 760 mmHg
Molecular Weight 256.215
Flash Point 247.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anthraquinone,1,2,6-trihydroxy- (7CI,8CI);Flavopurpurin (6CI);1,2,6-Trihydroxyanthraquinone;Alizarine Red YCAP;Alizarine Y;C.I. 58240;C.I. Mordant Red 4;NSC 401141;2,7,8-Tha;2,7,8-Trihydroxyanthraquinone;1,2,6-Trihydroxyanthracene-9,10-dione;
PSA 94.83000
LogP 1.57880

9,10-Anthracenedione,1,2,6-trihydroxy- Specification

The 9,10-Anthracenedione,1,2,6-trihydroxy-, with the CAS registry number 82-29-1, is also known as 2,7,8-Trihydroxyanthraquinone. This chemical's molecular formula is C₁₄H₈O₅ and molecular weight is 256.21. What's more, its systematic name is 1,2,6-Trihydroxyanthracene-9,10-dione.

Physical properties of 9,10-Anthracenedione,1,2,6-trihydroxy- are: (1)ACD/LogP: 4.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 622.27; (6)ACD/BCF (pH 7.4): 16.24; (7)ACD/KOC (pH 5.5): 3307.04; (8)ACD/KOC (pH 7.4): 86.32; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.772; (14)Molar Refractivity: 64.31 cm³; (15)Molar Volume: 154.3 cm³; (16)Polarizability: 25.49×10^-24cm³; (17)Surface Tension: 93.9 dyne/cm; (18)Density: 1.659 g/cm³; (19)Flash Point: 247.3 °C; (20)Enthalpy of Vaporization: 75.06 kJ/mol; (21)Boiling Point: 462 °C at 760 mmHg; (22)Vapour Pressure: 3.72E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
(2)InChI: InChI=1S/C14H8O5/c15-6-1-2-7-9(5-6)12(17)8-3-4-10(16)14(19)11(8)13(7)18/h1-5,15-16,19H
(3)InChIKey: QWPVOAUJFKGLQA-UHFFFAOYSA-N

Product Name

1,2,6-trihydroxyanthracene-9,10-dione

9,10-Anthracenedione,1,2,6-trihydroxy- Specification

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