1-(4-chloro-2-methylphenyl)diazenium dichlorozinc chloride

• ChemBase ID: 105540
• Molecular Formular: C7H8Cl4N2Zn
• Molecular Mass: 327.34382
• Monoisotopic Mass: 323.87330099
• SMILES: [Cl-].Cc1cc(Cl)ccc1[NH+]=N.Cl[Zn]Cl
• Canonical SMILES: N=[NH+]c1ccc(cc1C)Cl.Cl[Zn]Cl.[Cl-]
• InChI: InChI=1S/C7H7ClN2.3ClH.Zn/c1-5-4-6(8)2-3-7(5)10-9;;;;/h2-4,9H,1H3;3*1H;/q;;;;+2/p-2
• InChIKey: MWSMZLYHMOSUTJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chloro-2-methylphenyl)diazenium dichlorozinc chloride
• IUPAC Traditional name: 1-(4-chloro-2-methylphenyl)diazenium zinc chloride chloride
• Synonyms: FAST RED TR SALT ZINC CHLORIDE

Database IDs

• CAS Number: 89453-69-0
• PubChem SID: 162093627
• PubChem CID: 44134717

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.1810634
• LogD (pH = 7.4): 3.1810813
• Log P: 3.1810815
• Molar Refractivity: 42.8912 cm^3
• Polarizability: 15.906807 Å^3
• Polar Surface Area: 37.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: Dye Content ≥90%

DETAILS

MP Biomedicals - 02191190

Zinc Chloride
C.I. 37085
Dye content: Min. 90%