hexachlorostibanuide; tris(4-bromophenyl)azaniumyl

• ChemBase ID: 149664
• Molecular Formular: C18H12Br3Cl6NSb
• Molecular Mass: 816.48458
• Monoisotopic Mass: 809.56891647
• SMILES: c1cc(ccc1[N+](c1ccc(cc1)Br)c1ccc(cc1)Br)Br.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
• Canonical SMILES: Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.Brc1ccc(cc1)[N+](c1ccc(cc1)Br)c1ccc(cc1)Br
• InChI: InChI=1S/C18H12Br3N.6ClH.Sb/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;;;;/h1-12H;6*1H;/q+1;;;;;;;+5/p-6
• InChIKey: SDHBPVANTRLAKE-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: hexachlorostibanuide; tris(4-bromophenyl)azaniumyl
• IUPAC Traditional name: hexachlorostibanuide; tris(4-bromophenyl)ammonio
• Synonyms: Tris(4-bromophenyl)ammoniumyl hexachloroantimonate; 三(4-溴苯基)六氯锑酸铵

Database IDs

• CAS Number: 24964-91-8
• PubChem SID: 162243827; 24853786
• PubChem CID: 16688313

CALCULATED PROPERTIES

• Polar Surface Area: 13.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1893287
• LogD (pH = 7.4): 4.1893287
• Log P: 4.1893287
• Molar Refractivity: 102.0869 cm^3
• Polarizability: 38.926617 Å^3

PROPERTIES

Physical Property

• Melting Point: 142 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20/22-51/53
• Safety Statements: 61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332-H411
• GHS Precautionary statements: P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: technical grade
• Linear Formula: (BrC6H4)3NSbCl6

DETAILS

Sigma Aldrich - 230227

Packaging
1, 5 g in glass bottle