1-hexyl-4-iodobenzene

• ChemBase ID: 296346
• Molecular Formular: C12H17I
• Molecular Mass: 288.16785
• Monoisotopic Mass: 288.03749854
• SMILES: CCCCCCc1ccc(cc1)I
• Canonical SMILES: CCCCCCc1ccc(cc1)I
• InChI: InChI=1S/C12H17I/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6H2,1H3
• InChIKey: QCTCAMDTUGSMJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hexyl-4-iodobenzene
• IUPAC Traditional name: 1-hexyl-4-iodobenzene
• Synonyms: 1-n-Hexyl-4-iodobenzene; 1-正己基-4-碘代苯

Database IDs

• CAS Number: 62150-34-9
• MDL Number: MFCD07777097
• PubChem SID: 180681877
• PubChem CID: 15001645

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.638455
• LogD (pH = 7.4): 5.638455
• Log P: 5.638455
• Molar Refractivity: 67.4667 cm^3
• Polarizability: 26.2735 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 122-125°C/3mm
• Flash Point: >120°C(248°F)
• Refractive Index: 1.5530

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 98%