1-fluorotetradecane

• ChemBase ID: 7872
• Molecular Formular: C14H29F
• Molecular Mass: 216.3784632
• Monoisotopic Mass: 216.22532915
• SMILES: C(F)CCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCF
• InChI: InChI=1S/C14H29F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
• InChIKey: YRDSYPITPPQNED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluorotetradecane
• IUPAC Traditional name: 1-fluorotetradecane
• Synonyms: Tetradecyl fluoride; 1-Fluorotetradecane 97%; 1-Fluorotetradecane; n-Tetradecyl fluoride; 十四烷基氟; 1-氟十四烷

Database IDs

• CAS Number: 593-33-9; 73180-09-3
• EC Number: 209-788-2
• MDL Number: MFCD00042114
• PubChem SID: 24878383; 160971179
• PubChem CID: 79053

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1421003
• LogD (pH = 7.4): 6.1421003
• Log P: 6.1421003
• Molar Refractivity: 66.4528 cm^3
• Polarizability: 26.19969 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 119-121°C; 119-121°C/3mm
• Density: 0.812 g/mL at 25 °C(lit.); 0.828
• Refractive Index: 1.427; n20/D 1.425(lit.)

Safety Information

• Storage Warning: FLAMMABLE; Flammable
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 96%; 97%
• Linear Formula: CH3(CH2)13F

DETAILS

Sigma Aldrich - 539163

Packaging
1 g in glass bottle