bis(4-chloro-2-methylbenzene-1-diazonium) dichlorozinc dichloride

• ChemBase ID: 132074
• Molecular Formular: C14H12Cl6N4Zn
• Molecular Mass: 514.36988
• Monoisotopic Mass: 509.84845448
• SMILES: Cc1cc(ccc1[N+]#N)Cl.Cc1cc(ccc1[N+]#N)Cl.[Cl-].[Cl-].Cl[Zn]Cl
• Canonical SMILES: N#[N+]c1ccc(cc1C)Cl.N#[N+]c1ccc(cc1C)Cl.Cl[Zn]Cl.[Cl-].[Cl-]
• InChI: InChI=1S/2C7H6ClN2.4ClH.Zn/c2*1-5-4-6(8)2-3-7(5)10-9;;;;;/h2*2-4H,1H3;4*1H;/q2*+1;;;;;+2/p-4
• InChIKey: RIIVFDKBXXMYRL-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-chloro-2-methylbenzene-1-diazonium) dichlorozinc dichloride
• IUPAC Traditional name: bis(4-chloro-2-methylbenzenediazonium) zinc chloride dichloride
• Synonyms: 4-Chloro-2-methylbenzenediazonium salt; Azoic Diazo No. 11; Fast Red TR Salt hemi(zinc chloride) salt

Database IDs

• CAS Number: 89453-69-0
• MDL Number: MFCD00074766
• PubChem SID: 24894975; 162226351; 24862940
• PubChem CID: 16212368
• Color Index Number: 37085

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9272053
• LogD (pH = 7.4): 2.9272053
• Log P: 2.9272053
• Molar Refractivity: 61.5501 cm^3
• Polarizability: 15.3137455 Å^3
• Polar Surface Area: 28.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 284 nm

Safety Information

• German water hazard class: 3
• Risk Statements: 52/53
• Safety Statements: 61
• GHS Hazard statements: H412
• GHS Precautionary statements: P273
• Storage Temperature: -20°C

Product Information

• Compostion: Dye content, ~15%; Dye content, >90%; Dye content, 15%
• Empirical Formula (Hill Notation): C7H6Cl2N2 · 0.5 ZnCl2

DETAILS

Sigma Aldrich - 368881

Packaging
25 g in glass bottle