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

• ChemBase ID: 156097
• Molecular Formular: C12H6Cl6N6O4Zn
• Molecular Mass: 576.31184
• Monoisotopic Mass: 571.78731078
• SMILES: c1cc(c(cc1Cl)[N+](=O)[O-])[N+]#N.c1cc(c(cc1Cl)[N+](=O)[O-])[N+]#N.[Cl-].[Cl-].Cl[Zn]Cl
• Canonical SMILES: N#[N+]c1ccc(cc1[N+](=O)[O-])Cl.N#[N+]c1ccc(cc1[N+](=O)[O-])Cl.Cl[Zn]Cl.[Cl-].[Cl-]
• InChI: InChI=1S/2C6H3ClN3O2.4ClH.Zn/c2*7-4-1-2-5(9-8)6(3-4)10(11)12;;;;;/h2*1-3H;4*1H;/q2*+1;;;;;+2/p-4
• InChIKey: SEJJAROGLQFLQR-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-chloro-2-nitrobenzene-1-diazonium) dichlorozinc dichloride
• IUPAC Traditional name: bis(4-chloro-2-nitrobenzenediazonium) zinc chloride dichloride
• Synonyms: 4-Chloro-2-nitrobenzenediazonium chloride hemi(zinc chloride) salt; Fast Red 3 GL Salt

Database IDs

• CAS Number: 14263-89-9
• EC Number: 238-148-5
• MDL Number: MFCD16661248
• Beilstein Number: 5695182
• PubChem SID: 24868331; 162250235
• PubChem CID: 13494708
• Color Index Number: 37040

CALCULATED PROPERTIES

• Acid pKa: 15.903741
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.353768
• LogD (pH = 7.4): 2.353768
• Log P: 2.353768
• Molar Refractivity: 63.8336 cm^3
• Polarizability: 15.5889015 Å^3
• Polar Surface Area: 73.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 22-24/25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN REST

Product Information

• Grade: for microscopy (Hist.)
• Linear Formula: C6H3N3O2Cl · ½ZnCl4