bis(2-methoxy-5-methyl-4-[2-(4-methyl-2-nitrophenyl)diazen-1-yl]benzene-1-diazonium); tetrachlorozincdiuide

• ChemBase ID: 145741
• Molecular Formular: C30H28Cl4N10O6Zn
• Molecular Mass: 831.79872
• Monoisotopic Mass: 828.02388139
• SMILES: Cc1cc(c(cc1)/N=N/c1c(cc(c(c1)OC)[N+]#N)C)[N+](=O)[O-].Cc1cc(c(cc1)/N=N/c1c(cc(c(c1)OC)[N+]#N)C)[N+](=O)[O-].Cl[Zn-2](Cl)(Cl)Cl
• Canonical SMILES: Cl[Zn-2](Cl)(Cl)Cl.COc1cc(/N=N/c2ccc(cc2[N+](=O)[O-])C)c(cc1[N+]#N)C.COc1cc(/N=N/c2ccc(cc2[N+](=O)[O-])C)c(cc1[N+]#N)C
• InChI: InChI=1S/2C15H14N5O3.4ClH.Zn/c2*1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2;;;;;/h2*4-8H,1-3H3;4*1H;/q2*+1;;;;;+2/p-4
• InChIKey: VUFIPLOIANLIBR-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methoxy-5-methyl-4-[2-(4-methyl-2-nitrophenyl)diazen-1-yl]benzene-1-diazonium); tetrachlorozincdiuide
• IUPAC Traditional name: bis(2-methoxy-5-methyl-4-[2-(4-methyl-2-nitrophenyl)diazen-1-yl]benzenediazonium); tetrachlorozincdiuide
• Synonyms: Azoic Diazo Component 39; Azoic Diazo No. 39; Fast Corinth V zinc chloride double salt

Database IDs

• CAS Number: 61966-14-1
• EC Number: 263-357-3
• PubChem SID: 162239943; 24853626
• PubChem CID: 151693
• Color Index Number: 37220

CALCULATED PROPERTIES

• Acid pKa: 18.048689
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.024789
• LogD (pH = 7.4): 5.024789
• Log P: 5.024789
• Molar Refractivity: 109.8934 cm^3
• Polarizability: 30.85213 Å^3
• Polar Surface Area: 107.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 147 °C (dec.)(lit.)
• Absorption Wavelength: λmax 356 nm

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-46-20/21/22
• Safety Statements: 53-22-36/37/39-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H332-H350
• GHS Precautionary statements: P201-P280-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

Product Information

• Compostion: Dye content, 90%
• Empirical Formula (Hill Notation): C15H14N5O3 · 0.5Cl4Zn

DETAILS

Sigma Aldrich - 227366

Packaging
5, 25 g in glass bottle