bis(4-benzamido-2,5-dimethoxybenzene-1-diazonium) dichlorozinc dichloride

• ChemBase ID: 133309
• Molecular Formular: C30H28Cl4N6O6Zn
• Molecular Mass: 775.77192
• Monoisotopic Mass: 772.01158537
• SMILES: COc1cc(c(cc1[N+]#N)OC)NC(=O)c1ccccc1.COc1cc(c(cc1[N+]#N)OC)NC(=O)c1ccccc1.[Cl-].[Cl-].Cl[Zn]Cl
• Canonical SMILES: COc1cc([N+]#N)c(cc1NC(=O)c1ccccc1)OC.COc1cc([N+]#N)c(cc1NC(=O)c1ccccc1)OC.Cl[Zn]Cl.[Cl-].[Cl-]
• InChI: InChI=1S/2C15H13N3O3.4ClH.Zn/c2*1-20-13-9-12(18-16)14(21-2)8-11(13)17-15(19)10-6-4-3-5-7-10;;;;;/h2*3-9H,1-2H3;4*1H;/q;;;;;;+2/p-2
• InChIKey: LLARVKAOQLUCQI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-benzamido-2,5-dimethoxybenzene-1-diazonium) dichlorozinc dichloride
• IUPAC Traditional name: bis(4-benzamido-2,5-dimethoxybenzenediazonium) zinc chloride dichloride
• Synonyms: 4-Benzoylamino-2,5-dimethoxybenzenediazonium chloride hemi(zinc chloride) salt; Azoic Diazo No. 24; Fast Blue RR Salt

Database IDs

• CAS Number: 14726-29-5
• EC Number: 238-777-5
• MDL Number: MFCD00074762
• PubChem SID: 24895004; 162227586; 24894722
• PubChem CID: 2724074
• Color Index Number: 37155

CALCULATED PROPERTIES

• Acid pKa: 7.495294
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7951896
• LogD (pH = 7.4): 4.04098
• Log P: 2.5862815
• Molar Refractivity: 100.164 cm^3
• Polarizability: 29.30937 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: crystalline
• Absorption Wavelength: λmax 329 nm

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 85%
• Grade: for microscopy
• Clinical: for in vitro diagnostic use
• Shelf Life: (Expiry date on the label.)
• Quality Level: IVD
• Linear Formula: C15H14ClN3O3 · 1/2 ZnCl2

DETAILS

Sigma Aldrich - FBS25

Application
Used as a kit component for the determination of alkaline phosphatase in Sigma Kits 85L1 and 85L2 and for the determination of nonspecific esterase in Sigma Kit 90A1.
包装
Actual weight of the capsule will vary with dye lot and has been optimized by assay.

Sigma Aldrich - F0500

包装
25 g in glass bottle