2-fluoroethan-1-ol

• ChemBase ID: 9779
• Molecular Formular: C2H5FO
• Molecular Mass: 64.0589032
• Monoisotopic Mass: 64.032443
• SMILES: C(CO)F
• Canonical SMILES: OCCF
• InChI: InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2
• InChIKey: GGDYAKVUZMZKRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroethan-1-ol
• IUPAC Traditional name: 2-fluoroethanol
• Synonyms: 2-Fluoroethanol; 2-Fluoroethanol; Ethylene fluorohydrine; 2-Fluoro-1-hydroxyethane; Ethylene fluorhydrin; 2-Fluoroethan-1-ol; 2-氟乙醇

Database IDs

• CAS Number: 371-62-0
• EC Number: 206-740-2
• MDL Number: MFCD00002828
• Beilstein Number: 1730857
• PubChem SID: 24849864; 24870196; 160973086
• PubChem CID: 9737
• CHEMBL: 115586
• Chemspider ID: 9354
• Wikipedia Title: 2-Fluoroethanol

CALCULATED PROPERTIES

• Acid pKa: 14.739787
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.31758732
• LogD (pH = 7.4): -0.31758732
• Log P: -0.31758732
• Molar Refractivity: 12.8615 cm^3
• Polarizability: 4.900971 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: miscible in water
• Melting Point: -26.3 °C; -26.5 °C(lit.); -26.5°C; -27°C
• Boiling Point: 100-104°C; 102-104°C; 103 °C/757 mmHg(lit.); 103°C/757mm; 103.5 °C
• Flash Point: 31°C(87°F); 34 °C; 34°C; 93.2 °F
• Density: 1.091; 1.091 g/mL at 25 °C(lit.); 1.104; 1.1040 g·cm^-3
• Refractive Index: 1.3650; 1.367; n20/D 1.365; n20/D 1.365(lit.)
• Vapor Pressure: 16 mmHg ( 20 °C); 19 mbar (15 °C)
• pKa: 14.42

Safety Information

• Storage Warning: Air Sensitive; TOXIC BY INHALATION, FLAMMABLE; Very Toxic/Flammable
• RTECS: KL1575000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 3383; UN3384
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1; I
• Risk Statements: 10-26/27/28; R10 R26/27/28
• Safety Statements: 20-27/28-36/37-45; 36/37/39-45; S36/37/39 S45
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• LD50: 5 mg·kg^-1(Rat, oral) ; 1.10 g·m^-3·10min^-1 (LC₅₀, Mouse, Inhalation) ; 0.20 g·m^-3·10min^-1 (LC₅₀, Rat, Inhalation)
• GHS Hazard statements: H226-H300-H310-H330; H300-H310-H330-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P304+P340-P320-P330-P361-P405-P501A; P260-P264-P280-P284-P301 + P310-P302 + P350
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3383 6.1/PG 1

Product Information

• Purity: ≥90% (GC); 95%; 97%
• Grade: technical
• Linear Formula: FCH2CH2OH

DETAILS

Sigma Aldrich - 160342

Packaging
5, 25 g in ampule