CAS No.4478-76-6,ALIZARIN RUBINOL R Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4478-76-6
Name:	ALIZARIN RUBINOL R

Formula:	C₂₄H₁₈N₂NaO₅S
Molecular Weight:	468.46
Synonyms:	Benzenesulfonicacid, 2-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-5-methyl-,monosodium salt (9CI);m-Toluenesulfonic acid,6-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-,monosodium salt (8CI);Acid Red 80;Acid Red A;Ahcoquinone Rubine R;Alizarine Direct Red 2B;Alizarine Light Red R;Alizarine Rubine R;Alizarine Rubinol R;AlizarineRubinol R-CF;Anthraquinone Rubine R;C.I. 68215;C.I. Acid Red 80;Erio AnthraceneRubine R;Erio Fast Rubine R;Erionyl Rubine E 2BFL;Erionyl Rubine ER;FenalanRuby R;Nylomine Acid Red B 5B;Solway Rubinol R;Solway Rubinole RA;SuperianRubinol R;Supracen Red 3B;
EINECS:	224-759-4
Density:	1.56g/cm³
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	116.68000
LogP:	4.75280

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Specification

The Benzenesulfonic acid,2-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-5-methyl-,sodium salt (1:1), with the CAS registry number 4478-76-6, is also known as Ahcoquinone Rubine R. It belongs to the product category of Organics. Its EINECS registry number is 224-759-4. This chemical's molecular formula is C₂₄H₁₈N₂NaO₅S and molecular weight is 469.083412.

Physical properties of Benzenesulfonic acid,2-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-5-methyl-,sodium salt (1:1): (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): -1.63; (3)ACD/LogD (pH 7.4): -1.64; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1)NC2=C3C4=C(C=C2)N(C(=O)C=C4C5=CC=CC=C5C3=O)C)S(=O)(=O)O.[Na]
(2)InChI: InChI=1S/C24H18N2O5S.Na/c1-13-7-8-17(20(11-13)32(29,30)31)25-18-9-10-19-22-16(12-21(27)26(19)2)14-5-3-4-6-15(14)24(28)23(18)22;/h3-12,25H,1-2H3,(H,29,30,31)
(3)InChIKey: ROJLPVGCHUFZQV-UHFFFAOYSA-N