11-bromoundec-1-ene

• ChemBase ID: 149261
• Molecular Formular: C11H21Br
• Molecular Mass: 233.18844
• Monoisotopic Mass: 232.08266267
• SMILES: C=CCCCCCCCCCBr
• Canonical SMILES: BrCCCCCCCCCC=C
• InChI: InChI=1S/C11H21Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2
• InChIKey: YPLVPFUSXYSHJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-bromoundec-1-ene
• IUPAC Traditional name: 11-bromoundec-1-ene
• Synonyms: 11-Undecen-1-yl bromide; 10-Undecenyl bromide; 11-Bromo-1-undecene; 11-溴-1-十一烯; 11-溴-1-十一碳烯

Database IDs

• CAS Number: 7766-50-9
• EC Number: 000-000-0
• MDL Number: MFCD00040825
• Beilstein Number: 1753231
• PubChem SID: 24851218; 162243429; 24870428
• PubChem CID: 284148

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.153402
• LogD (pH = 7.4): 5.153402
• Log P: 5.153402
• Molar Refractivity: 60.4205 cm^3
• Polarizability: 23.328003 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 149-150 °C/35 mmHg(lit.); 149-150°C/35mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.063; 1.063 g/mL at 25 °C(lit.)
• Refractive Index: 1.4690; n20/D 1.468; n20/D 1.468(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC); 95%; 96%
• Grade: purum
• Linear Formula: Br(CH2)9CHCH2

DETAILS

Sigma Aldrich - 467642

Application
Used in advanced polymer dielectrics.1
Packaging
5, 25 mL in glass bottle