1-bromoundecane

• ChemBase ID: 92010
• Molecular Formular: C11H23Br
• Molecular Mass: 235.20432
• Monoisotopic Mass: 234.09831274
• SMILES: BrCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCBr
• InChI: InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
• InChIKey: IKPSIIAXIDAQLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromoundecane
• IUPAC Traditional name: 1-bromoundecane
• Synonyms: 1-Bromoundecane; Undecyl bromide; 1-Bromoundecane; n-Undecyl bromide; 1-BROMO UNDECANE; 十一烷基溴; 1-溴十一烷

Database IDs

• CAS Number: 693-67-4
• EC Number: 211-757-3
• MDL Number: MFCD00000223
• Beilstein Number: 1098390
• PubChem SID: 162078708; 24851181; 24854728
• PubChem CID: 12744

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.45739
• LogD (pH = 7.4): 5.45739
• Log P: 5.45739
• Molar Refractivity: 60.3764 cm^3
• Polarizability: 23.57545 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -9 °C(lit.); -9°C
• Boiling Point: 112-114°C/10mm; 137-138 °C/18 mmHg(lit.)
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.052; 1.054 g/mL at 25 °C(lit.)
• Refractive Index: 1.4563; n20/D 1.457; n20/D 1.457(lit.)
• Vapor Density: 8.2 (vs air)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (GC); 98%
• Grade: purum
• Linear Formula: CH3(CH2)10Br

DETAILS

MP Biomedicals - 05204809

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 245038

Packaging
25, 100 g in glass bottle