CAS No.55812-59-4,Ammonium anthraquinone-1-sulfonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55812-59-4
Name:	Ammonium anthraquinone-1-sulfonate

Formula:	C₁₄H₁₁NO₅S
Molecular Weight:	305.3058
Synonyms:	1-Anthracenesulfonicacid, 9,10-dihydro-9,10-dioxo-, ammonium salt (9CI);Ammoniumanthraquinone-1-sulfonate;9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid ammoniate (1:1);1-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, ammonium salt;Ammonium 9,10-dioxo-9,10-dihydroanthracene-1-sulfonate;1-Anthraquinonesulfonic acid, ammonium salt;ammonium 9,10-dihydro-9,10-dioxoanthracene-1-sulphonate;
EINECS:	259-836-1
Boiling Point:	627.5 °C at 760 mmHg
Flash Point:	333.3 °C
Appearance:	light yellow crystalline powder
PSA:	100.13000
LogP:	3.11340

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Specification

The 1-Anthracenesulfonicacid, 9,10-dihydro-9,10-dioxo-, ammonium salt (1:1), with the CAS registry number 55812-59-4 and EINECS registry number 259-836-1, has the systematic name of 9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid ammoniate (1:1). And the molecular formula of the chemical is C₁₄H₁₁NO₅S.

The characteristics of 1-Anthracenesulfonicacid, 9,10-dihydro-9,10-dioxo-, ammonium salt (1:1) are as followings: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.86; (4)ACD/LogD (pH 7.4): -1.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 85.89 Å²; (13)Flash Point: 333.3 °C; (14)Enthalpy of Vaporization: 97.62 kJ/mol; (15)Boiling Point: 627.5 °C at 760 mmHg; (16)Vapour Pressure: 1.3E-16 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)c3cccc2C(=O)c1ccccc1C(=O)c23.N
(2)InChI: InChI=1/C14H8O5S.H3N/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;/h1-7H,(H,17,18,19);1H3
(3)InChIKey: DYEWIYCIFREDCH-UHFFFAOYAE