Calmagite - indicator , CAS No.3147-14-6

CAS: 3147-14-6 Cat. No.: C106349 Peso molecular: 358.37 Número EC: 221-563-0

GRADE & PURITY Indicator

Synonyms

3-hydroxy-4-[(2-hydroxy-5-methylphenyl)diazenyl]naphthalene-1-sulfonic acid | CALMAGITE [MI] | 1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-5-methylphenyl)azo]- | 3-Hydroxy-4-((6-hydroxy-m-tolyl)azo)-1-naphthalenesulfonic acid | 1-Naphthalenesulfon

Storage

Room temperature

Shipped In

Normal

Descripción general

Metal indicator for Ca, Mg etc.; Used as an indicator in the titration of calcium or magnesium with EDTA; Used for the determination of magnesium in biological materials.

Specifications

Sinónimos

3-hydroxy-4-[(2-hydroxy-5-methylphenyl)diazenyl]naphthalene-1-sulfonic acid | CALMAGITE [MI] | 1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-5-methylphenyl)azo]- | 3-Hydroxy-4-((6-hydroxy-m-tolyl)azo)-1-naphthalenesulfonic acid | 1-Naphthalenesulfon

Especificaciones y pureza

indicator

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Indicator

Nombres e identificadores

• Pubchem Sid: 504750576
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750576
• Sonrisas canónicas: CC1=CC(=C(C=C1)O)N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O
• IUPAC Name: 3-hydroxy-4-[(2-hydroxy-5-methylphenyl)diazenyl]naphthalene-1-sulfonic acid
• InChIKey: VBRNLOQCBCPPHL-UHFFFAOYSA-N
• INCHI: 1S/C17H14N2O5S/c1-10-6-7-14(20)13(8-10)18-19-17-12-5-3-2-4-11(12)16(9-15(17)21)25(22,23)24/h2-9,20-21H,1H3,(H,22,23,24)
• Isómeros SMILES: CC1=CC(=C(C=C1)O)N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O
• Peso molecular: 358.37
• Reaxy-Rn: 708596
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=708596&ln=

Propiedades químicas y físicas

• Solubilidad: Soluble in water,acetone, ethanol.
• Punto de fusión (°C): 330 °C
• Peso molecular: 358.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 358.062 Da
• Monoisotopic Mass: 358.062 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 590.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1