1-fluorodecane

• ChemBase ID: 94662
• Molecular Formular: C10H21F
• Molecular Mass: 160.2721432
• Monoisotopic Mass: 160.16272889
• SMILES: FCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCF
• InChI: InChI=1S/C10H21F/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
• InChIKey: LHLRHWJTTUCDQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluorodecane
• IUPAC Traditional name: 1-fluorodecane
• Synonyms: 1-Fluorodecane 98%; 1-Fluorodecane; 1-氟癸

Database IDs

• CAS Number: 334-56-5
• EC Number: 206-380-6
• MDL Number: MFCD00018074
• PubChem SID: 24878350; 162081316
• PubChem CID: 9541

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.363826
• LogD (pH = 7.4): 4.363826
• Log P: 4.363826
• Molar Refractivity: 48.0488 cm^3
• Polarizability: 18.824186 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 183-187°C; 185-187 °C(lit.)
• Flash Point: 176 °F; 80 °C; 80°C
• Density: 0.809; 0.809 g/mL at 25 °C(lit.)
• Refractive Index: 1.4090; n20/D 1.409(lit.)

Safety Information

• Storage Warning: Very Toxic
• RTECS: HD8575000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 28-50/53
• Safety Statements: 28-36/37-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H410
• GHS Precautionary statements: P264-P273-P301 + P310-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 1

Product Information

• Purity: 98%
• Linear Formula: F(CH2)9CH3

DETAILS

Sigma Aldrich - 538655

Packaging
5 g in glass bottle