(9Z)-1-bromooctadec-9-ene

• ChemBase ID: 133190
• Molecular Formular: C18H35Br
• Molecular Mass: 331.3745
• Monoisotopic Mass: 330.19221312
• SMILES: CCCCCCCC/C=C\CCCCCCCCBr
• Canonical SMILES: CCCCCCCC/C=C\CCCCCCCCBr
• InChI: InChI=1S/C18H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-
• InChIKey: RRQWVJIFKFIUJU-KTKRTIGZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9Z)-1-bromooctadec-9-ene
• IUPAC Traditional name: (9Z)-1-bromooctadec-9-ene
• Synonyms: 1-Bromo-cis-9-octadecene; Oleyl bromide

Database IDs

• CAS Number: 6110-53-8
• EC Number: 228-074-1
• MDL Number: MFCD00083459
• PubChem SID: 24898066; 162227467
• PubChem CID: 5840383

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.207449
• LogD (pH = 7.4): 8.207449
• Log P: 8.207449
• Molar Refractivity: 93.7 cm^3
• Polarizability: 36.185596 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C