1-bromoheptadecane

• ChemBase ID: 109546
• Molecular Formular: C17H35Br
• Molecular Mass: 319.3638
• Monoisotopic Mass: 318.19221312
• SMILES: CCCCCCCCCCCCCCCCCBr
• Canonical SMILES: CCCCCCCCCCCCCCCCCBr
• InChI: InChI=1S/C17H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-17H2,1H3
• InChIKey: HHSDZLLPIXMEIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromoheptadecane
• IUPAC Traditional name: 1-bromoheptadecane
• Synonyms: n-HEPTADECYL BROMIDE; Heptadecyl bromide; 1-Bromoheptadecane; 1-Heptadecyl Bromide; 十七基溴; 1-溴十七烷

Database IDs

• CAS Number: 3508-00-7
• EC Number: 222-506-2
• MDL Number: MFCD00017891
• Beilstein Number: 1702196
• PubChem SID: 24850395; 162095148
• PubChem CID: 19022

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.124802
• LogD (pH = 7.4): 8.124802
• Log P: 8.124802
• Molar Refractivity: 87.9824 cm^3
• Polarizability: 34.58928 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 28°C
• Boiling Point: 126-128 °C/0.1 mmHg(lit.); 195°C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95.0% (GC)
• Linear Formula: CH3(CH2)16Br

DETAILS

MP Biomedicals - 05211534

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 17210

Packaging
5 g in glass bottle