Alizarin complexone , Indicator level , 3952-78-1

Synonym(s):
3,4-Dihydroxyanthraquinon-2-yl-methylimino-diacetic acid;Alizarin Complexone;Alizarin Fluorine Blue;N-(carboxymethyl)-N-[(9,10-dihydro-3,4-dihydroxy-9,10-dioxo-2-anthracenyl)methyl]-glycine

CAS NO.：3952-78-1

Empirical Formula: C19H15NO8

Molecular Weight: 385.32

MDL number: MFCD00001202

EINECS: 223-544-2

PRODUCT Properties

• Melting point: ~185 °C (dec.)
• Boiling point: 511.79°C (rough estimate)
• Density: 1.4951 (rough estimate)
• refractive index: 1.5000 (estimate)
• storage temp.: 2-8°C
• solubility: DMF: 10 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:7): 0.125 mg/ml
• form: Fine Powder
• pka: 1.71±0.10(Predicted)
• color: Brown
• Water Solubility: Slightly soluble (0.2 g/L)
• BRN: 2190028
• Stability: Incompatible with strong oxidizing agents.
• InChI: InChI=1S/C19H15NO8/c21-13(22)7-20(8-14(23)24)6-9-5-12-15(19(28)16(9)25)18(27)11-4-2-1-3-10(11)17(12)26/h1-5,25,28H,6-8H2,(H,21,22)(H,23,24)
• InChIKey: PWIGYBONXWGOQE-UHFFFAOYSA-N
• SMILES: C(O)(=O)CN(CC(O)=O)CC1=C(O)C(O)=C2C(=C1)C(=O)C1=C(C=CC=C1)C2=O
• CAS DataBase Reference: 3952-78-1(CAS DataBase Reference)
• EPA Substance Registry System: Glycine, N-(carboxymethyl)-N-[(9,10-dihydro-3,4-dihydroxy-9,10-dioxo-2-anthracenyl)methyl]- (3952-78-1)

Description and Uses

Alizarin-3-methyliminodiacetic acid is a colorimetric dye for the detection of fluoride ions. It reacts with fluoride to form a lilac-blue complex which can be quantified colorimetrically at 620 nm to determine fluoride concentration. Alizarin-3-methyliminodiacetic acid has been used to visualize fluoride deposition and bone mineralization during development in medaka larvae. It is also an inhibitor of inducible nitric oxide synthase (iNOS; IC₅₀ = 35 nM).

Alizarin Complexone is used for the determination of fluorine and other anions. ATA is also a potent inhibitor of protein-nucleic acid interactions.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332
• Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 24/25-36-26
• WGK Germany: 3
• RTECS: AH0585000
• TSCA: Yes
• HS Code: 29225090