茜素络合酮二水合物

Description

Alizarin Complexone dihydrate · CAS 3952-78-1 · C19H15NO8. UNII TX8W05MTS6.

Identification

CAS Registry Number	3952-78-1
PubChem CID	65132
Molecular formula	C19H15NO8
IUPAC name	2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid
UNII (FDA)	TX8W05MTS6

Computed Descriptors

Molecular Weight	385.3
XLogP3	-0.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	385.07976644
Monoisotopic Mass	385.07976644
Topological Polar Surface Area	152
Heavy Atom Count	28
Formal Charge	0

Physical description & handling notes

• Brown-orange crystals insoluble in water; [Sax]

GHS Hazard Classification

Reported hazard statements	H302 (100%), H312 (100%), H332 (100%)

Documented Uses

• Metal indicators are organic compounds that form specifically colored metal ion complexes in aqueous media. These dye reactions can be employed for detection of the equivalence point in volumetry (complexometry), as well as for concentration determinations in colorimetry or photometry. [Ullmann] Alizarin complexone is used for the complexometric determination of Ba, Ca, Cd, Co, Hg, In, Pb, Sr, and Zn. It is used for the photometric determination of fluoride. [Ullmann]
• Glycine, N-(carboxymethyl)-N-[(9,10-dihydro-3,4-dihydroxy-9,10-dioxo-2-anthracenyl)methyl]-: ACTIVE

Synonyms

3952-78-1; Alizarin Fluorine Blue; Alizarinkomplexon; Alizarine Fluorine Blue; 3-Aminomethylalizarin-N,N-diacetic acid; Acetic acid, (((3,4-dihydroxy-2-anthraquinonyl)methyl)imino)di-; TX8W05MTS6; CHEBI:53088; 1,2-Dihydroxy-anthrachinon-3-methylen-iminodiessigsaeure; NSC-293056; (((3,4-Dihydroxy-2-anthraquinonyl)methyl)imino)diacetic acid dihydrate; Glycine, N-(carboxymethyl)-N-((9,10-dihydro-3,4-dihydroxy-9,10-dioxo-2-anthracenyl)methyl)-; DTXSID4063240; Glycine, N-(carboxymethyl)-N-[(9,10-dihydro-3,4-dihydroxy-9,10-dioxo-2-anthracenyl)methyl]-; {[(3,4-Dihydroxy-2-anthraquinonyl)methyl]imino}diacetic acid dihydrate; 2,2'-{[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]imino}diacetic acid

Frequently Asked Questions

What are the CAS number and molecular formula of Alizarin Complexone dihydrate?

CAS 3952-78-1; molecular formula C19H15NO8; molecular weight — g/mol.

What other names is Alizarin Complexone dihydrate known by?

3952-78-1, Alizarin Fluorine Blue, Alizarinkomplexon, Alizarine Fluorine Blue, 3-Aminomethylalizarin-N,N-diacetic acid, Acetic acid, (((3,4-dihydroxy-2-anthraquinonyl)methyl)imino)di-.

Is Alizarin Complexone dihydrate classified as hazardous?

Hazard statements reported: H302, H312, H332.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.