CAS No.117-78-2,ANTHRAQUINONE-2-CARBOXYLIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	117-78-2
Name:	ANTHRAQUINONE-2-CARBOXYLIC ACID
Article Data:	66

Formula:	C₁₅H₈O₄
Molecular Weight:	252.226
Synonyms:	2-Anthraquinonecarboxylicacid (6CI);2-Anthroic acid, 9,10-dihydro-9,10-dioxo- (7CI,8CI);2-Carboxy-9,10-anthraquinone;2-Carboxyanthraquinone;9,10-Anthraquinone-2-carboxylic acid;9,10-Dihydro-9,10-dioxo-2-anthracenecarboxylic acid;9,10-Dioxo-9,10-dihydro-2-anthracenecarboxylic acid;9,10-Dioxoanthracene-2-carboxylic acid;NSC 5001;b-Anthraquinonecarboxylic acid;
EINECS:	204-207-9
Density:	1.469 g/cm³
Melting Point:	287-289 °C
Boiling Point:	518.3 °C at 760 mmHg
Flash Point:	281.3 °C
Appearance:	solid
Hazard Symbols:	Xi
Safety:	24/25
PSA:	71.44000
LogP:	2.16020

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Specification

The 2-Anthracenecarboxylicacid, 9,10-dihydro-9,10-dioxo- is an organic compound with the formula C₁₅H₈O₄. The IUPAC name of this chemical is 9,10-dioxoanthracene-2-carboxylic acid. With the CAS registry number 117-78-2, it is also named as 2-Carboxyanthraquinone. The product's categories are Anthraquinones; Chloroanthraquine.

Physical properties about 2-Anthracenecarboxylicacid, 9,10-dihydro-9,10-dioxo- are: (1)ACD/LogP: 3.06; (2)ACD/LogD (pH 5.5): 1.04; (3)ACD/LogD (pH 7.4): -0.03; (4)ACD/BCF (pH 5.5): 1.19; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.55; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 60.44 Å²; (12)Index of Refraction: 1.69; (13)Molar Refractivity: 65.59 cm³; (14)Molar Volume: 171.5 cm³; (15)Polarizability: 26×10^-24cm³; (16)Surface Tension: 69.4 dyne/cm; (17)Density: 1.469 g/cm³; (18)Flash Point: 281.3 °C; (19)Enthalpy of Vaporization: 83.25 kJ/mol; (20)Boiling Point: 518.3 °C at 760 mmHg; (21)Vapour Pressure: 1.44E-11 mmHg at 25°C.

Uses of 2-Anthracenecarboxylicacid, 9,10-dihydro-9,10-dioxo-: it can be used to produce 9,10-dioxo-9,10-dihydro-anthracene-2-carboxylic acid hydrazide at ambient temperature. It will need reagent TFFH, Et₃N, NH₂NH₂*H₂O and solvent dimethylformamide with reaction time of 15 min. The yield is about 94%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c3ccc2C(=O)c1c(cccc1)C(=O)c2c3
(2)InChI: InChI=1/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)
(3)InChIKey: ASDLSKCKYGVMAI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)
(5)Std. InChIKey: ASDLSKCKYGVMAI-UHFFFAOYSA-N