1-bromononadecane

• ChemBase ID: 152337
• Molecular Formular: C19H39Br
• Molecular Mass: 347.41696
• Monoisotopic Mass: 346.22351325
• SMILES: CCCCCCCCCCCCCCCCCCCBr
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCBr
• InChI: InChI=1S/C19H39Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-19H2,1H3
• InChIKey: GWESGLGUMMNXDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromononadecane
• IUPAC Traditional name: 1-bromononadecane
• Synonyms: Nonadecyl bromide; 1-Bromononadecane; 十九烷基溴; 1-溴十九烷

Database IDs

• CAS Number: 4434-66-6
• EC Number: 224-641-2
• MDL Number: MFCD00210024
• Beilstein Number: 1703823
• PubChem SID: 162246482; 24850629
• PubChem CID: 20496

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.013939
• LogD (pH = 7.4): 9.013939
• Log P: 9.013939
• Molar Refractivity: 97.1844 cm^3
• Polarizability: 38.26832 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 38-41 °C

Safety Information

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

Product Information

• Purity: ≥97.0% (GC)
• Linear Formula: CH3(CH2)18Br

DETAILS

Sigma Aldrich - 17735

Packaging
1 g in glass bottle