1-fluorohexane

• ChemBase ID: 97600
• Molecular Formular: C6H13F
• Molecular Mass: 104.1658232
• Monoisotopic Mass: 104.10012864
• SMILES: FCCCCCC
• Canonical SMILES: CCCCCCF
• InChI: InChI=1S/C6H13F/c1-2-3-4-5-6-7/h2-6H2,1H3
• InChIKey: OFERIJCSHDJMSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluorohexane
• IUPAC Traditional name: 1-fluorohexane
• Synonyms: 1-Fluorohexane; Hexyl fluoride; 1-Fluorohexane 99%; 1-Fluorohexane; 氟己烷; 1-氟己烷

Database IDs

• CAS Number: 373-14-8
• EC Number: 206-763-8
• MDL Number: MFCD00000454
• PubChem SID: 162084196
• PubChem CID: 9760
• Wikipedia Title: 1-Fluorohexane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.585551
• LogD (pH = 7.4): 2.585551
• Log P: 2.585551
• Molar Refractivity: 29.6448 cm^3
• Polarizability: 11.462658 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Boiling Point: 92-93 °C(lit.); 93°C; 93-94°C
• Flash Point: 27 °C; 27°C; 80.6 °F
• Density: 0.8; 0.8 g/mL; 0.8 g/mL at 25 °C(lit.)
• Refractive Index: 1.3755; n20/D 1.3755(lit.)

Safety Information

• Storage Warning: Toxic/Flammable
• RTECS: MO3675000
• European Hazard Symbols: Toxic (T)
• UN Number: 2929
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 10-23/24/25-36/37/38; R10 R23/24/25 R36/37/38
• Safety Statements: 16-26-36/37/39-45; S1/2 S16 S26 S35 S36/37/39 S38 S45
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• Main Hazard: Toxic, flammable
• GHS Hazard statements: H226-H301-H311-H315-H319-H331-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2929 6.1/PG 2

Product Information

• Purity: 98%
• Linear Formula: CH3(CH2)5F