4-[4-(diazyn-1-ium-1-yl)-3-methoxyphenyl]-2-methoxybenzene-1-diazonium dichlorozinc dichloride

• ChemBase ID: 102994
• Molecular Formular: C14H12Cl4N4O2Zn
• Molecular Mass: 475.46268
• Monoisotopic Mass: 471.90057836
• SMILES: [Cl-].[Cl-].COc1cc(ccc1[N+]#N)c1cc(OC)c(cc1)[N+]#N.Cl[Zn]Cl
• Canonical SMILES: COc1cc(ccc1[N+]#N)c1ccc(c(c1)OC)[N+]#N.Cl[Zn]Cl.[Cl-].[Cl-]
• InChI: InChI=1S/C14H12N4O2.4ClH.Zn/c1-19-13-7-9(3-5-11(13)17-15)10-4-6-12(18-16)14(8-10)20-2;;;;;/h3-8H,1-2H3;4*1H;/q+2;;;;;+2/p-4
• InChIKey: GPPKNJIWDULNQH-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(diazyn-1-ium-1-yl)-3-methoxyphenyl]-2-methoxybenzene-1-diazonium dichlorozinc dichloride
• IUPAC Traditional name: 4-[4-(diazyn-1-ium-1-yl)-3-methoxyphenyl]-2-methoxybenzenediazonium zinc chloride dichloride
• Synonyms: Azoic Diazo No. 48; Diazo Blue B; o-Dianisidine bis(diazotized) zinc double salt; Naphthanil Diazo Blue B; FAST BLUE B SALT; DBB; Fast Blue B Salt

Database IDs

• CAS Number: 14263-94-6
• EC Number: 238-153-2
• MDL Number: MFCD00075203
• Beilstein Number: 1499067
• PubChem SID: 24894113; 162089610
• PubChem CID: 16219275
• Color Index Number: 37235

CALCULATED PROPERTIES

• Acid pKa: 19.031597
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9781156
• LogD (pH = 7.4): 2.9781156
• Log P: 2.9781156
• Molar Refractivity: 115.4128 cm^3
• Polarizability: 28.966986 Å^3
• Polar Surface Area: 74.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: > 300°C; >300 °C(lit.)

Safety Information

• Storage Condition: 2-8°C, Protect from light
• European Hazard Symbols: Nature polluting (N); Toxic (T); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 45; 45-22; R:20/21/22-40-58
• Safety Statements: 53.1-45; 53-45; S:22-36-45-57
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H350
• GHS Precautionary statements: P201-P308 + P313
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• Storage Temperature: 2-8°C

Product Information

• Grade: for microscopy (Hist.)
• Compostion: Dye content, ~95%
• Description: Technical grade
• Quality: for TLC-detection of aflatoxins
• Linear Formula: C14H12N4O2Cl2 · ZnCl2

DETAILS

MP Biomedicals - 02150201

C.I. 37235
Useful for TLC of Aflatoxins.

Sigma Aldrich - 44660

Other Notes
Stain used for the determination of various compounds, e.g. proteins1; bilirubin2; enzymes3;

Sigma Aldrich - D9805

包装
10, 100 g in glass bottle

REFERENCES

• Z. Anal. Chem. , 261 : 165 (1972).