1-bromopentadecane

• ChemBase ID: 147449
• Molecular Formular: C15H31Br
• Molecular Mass: 291.31064
• Monoisotopic Mass: 290.16091299
• SMILES: CCCCCCCCCCCCCCCBr
• Canonical SMILES: CCCCCCCCCCCCCCCBr
• InChI: InChI=1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3
• InChIKey: JKOTZBXSNOGCIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromopentadecane
• IUPAC Traditional name: 1-bromopentadecane
• Synonyms: Pentadecyl bromide; 1-Bromopentadecane; n-Pentadecyl bromide; 1-Bromopentadecane; 十五烷基溴; 1-溴十五烷

Database IDs

• CAS Number: 629-72-1
• EC Number: 211-104-2
• MDL Number: MFCD00000229
• Beilstein Number: 1744553
• PubChem SID: 162241637; 24850777; 24854296
• PubChem CID: 12394

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.2356644
• LogD (pH = 7.4): 7.2356644
• Log P: 7.2356644
• Molar Refractivity: 78.7804 cm^3
• Polarizability: 30.913324 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 17-19 °C(lit.); 18-19°C
• Boiling Point: 159-160 °C/5 mmHg(lit.); 159-160°C/5mm
• Flash Point: >110°C(230°F); 110 °C; 230 °F
• Density: 1.005; 1.005 g/mL at 25 °C(lit.)
• Refractive Index: 1.4608; n20/D 1.461; n20/D 1.461(lit.)
• Vapor Pressure: <1 mmHg ( 20 °C)
• Vapor Density: 10.1 (vs air)

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥97.0% (GC); 95+%; 97%
• Grade: purum
• Linear Formula: CH3(CH2)14Br

DETAILS

Sigma Aldrich - 238333

Packaging
10, 50 g in glass bottle