2-fluoroacetonitrile

• ChemBase ID: 94275
• Molecular Formular: C2H2FN
• Molecular Mass: 59.0423832
• Monoisotopic Mass: 59.01712729
• SMILES: N#CCF
• Canonical SMILES: FCC#N
• InChI: InChI=1S/C2H2FN/c3-1-2-4/h1H2
• InChIKey: GNFVFPBRMLIKIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroacetonitrile
• IUPAC Traditional name: acetonitrile, fluoro-
• Synonyms: Fluoroacetonitrile; Fluoroacetonitrile; 2-Fluoroacetonitrile; 氟乙腈

Database IDs

• CAS Number: 503-20-8
• MDL Number: MFCD00009969
• PubChem SID: 162080930; 24855588
• PubChem CID: 10420

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.09155312
• LogD (pH = 7.4): -0.09155312
• Log P: -0.09155312
• Molar Refractivity: 11.6331 cm^3
• Polarizability: 4.141179 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 79-80 °C(lit.)
• Flash Point: -14 °C; 6.8 °F
• Density: 1.061 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.333(lit.)

Safety Information

• RTECS: AM0175000
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 3273
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-36/37/38
• Safety Statements: 16-26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H315-H319-H331-H335
• GHS Precautionary statements: P210-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 3273 3/PG 2

Product Information

• Purity: 95+%; 98%
• Linear Formula: FCH2CN

DETAILS

Sigma Aldrich - 257443

Packaging
1 g in glass bottle