1,11-dibromoundecane

• ChemBase ID: 109910
• Molecular Formular: C11H22Br2
• Molecular Mass: 314.10038
• Monoisotopic Mass: 312.0088247
• SMILES: BrCCCCCCCCCCCBr
• Canonical SMILES: BrCCCCCCCCCCCBr
• InChI: InChI=1S/C11H22Br2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2
• InChIKey: SIBVHGAPHVRHMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,11-dibromoundecane
• IUPAC Traditional name: 1,11-dibromo-undecane
• Synonyms: 1,11-DIBROMO UNDECANE; Undecamethylene dibromide; 1,11-Dibromoundecane; 二溴十一烷; 1,11-二溴十一烷

Database IDs

• CAS Number: 16696-65-4
• EC Number: 240-745-0
• MDL Number: MFCD00000224
• Beilstein Number: 1740980
• PubChem SID: 24853902; 162095689
• PubChem CID: 85551

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.560798
• LogD (pH = 7.4): 5.560798
• Log P: 5.560798
• Molar Refractivity: 68.3396 cm^3
• Polarizability: 26.409246 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -10.6 °C(lit.)
• Boiling Point: 190-192 °C/18 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.335 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.491(lit.); n20/D 1.492

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥98%; ≥98.0% (GC)
• Grade: purum
• Linear Formula: Br(CH2)11Br

DETAILS

MP Biomedicals - 05212998

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 232467

Packaging
10 g in glass bottle