2,2,4,4-tetrachloro-6-tridecyl-1λ3,3,5-trioxa-2,4-dichromacyclohex-1(6)-ene

• ChemBase ID: 145980
• Molecular Formular: C14H27Cl4Cr2O3
• Molecular Mass: 489.16658
• Monoisotopic Mass: 486.95244544
• SMILES: CCCCCCCCCCCCCC1=[O][Cr](O[Cr](O1)(Cl)Cl)(Cl)Cl
• Canonical SMILES: CCCCCCCCCCCCCC1=[O][Cr](O[Cr](O1)(Cl)Cl)(Cl)Cl
• InChI: InChI=1S/C14H28O2.4ClH.2Cr.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;;;;;/h2-13H2,1H3,(H,15,16);4*1H;;;/q;;;;;+2;+3;/p-5
• InChIKey: FQQMZQHSEKFDEP-UHFFFAOYSA-I

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4,4-tetrachloro-6-tridecyl-1λ^3,3,5-trioxa-2,4-dichromacyclohex-1(6)-ene
• IUPAC Traditional name: 2,2,4,4-tetrachloro-6-tridecyl-1λ^3,3,5-trioxa-2,4-dichromacyclohex-1(6)-ene
• Synonyms: QUILON® H chromium complex solution; QUILON® H 铬络合物 溶液

Database IDs

• MDL Number: MFCD00213816
• PubChem SID: 162240180; 24866365
• PubChem CID: 16212726

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.5914
• LogD (pH = 7.4): 6.5914
• Log P: 6.5914
• Molar Refractivity: 104.5214 cm^3
• Polarizability: 42.702293 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 2 °C
• Boiling Point: 82 °C
• Flash Point: 17 °C; 62 °F
• Density: 1.015 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/21/22-34-40
• Safety Statements: 16-26-36/37/39-45
• RID/ADR: UN 2924 3/PG 2

Product Information

• Concentration: 8.5-9.5 wt. % Cr in isopropanol

DETAILS

Sigma Aldrich - 420948

Packaging
250 mL in glass bottle
Legal Information
DuPont Product
QUILON is a registered trademark of E. I. du Pont de Nemours and Company