2-fluoropyridine

• ChemBase ID: 9972
• Molecular Formular: C5H4FN
• Molecular Mass: 97.0903632
• Monoisotopic Mass: 97.03277735
• SMILES: c1cnc(cc1)F
• Canonical SMILES: Fc1ccccn1
• InChI: InChI=1S/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H
• InChIKey: MTAODLNXWYIKSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoropyridine
• IUPAC Traditional name: 2-fluoropyridine
• Synonyms: 2-Fluoropyridine; 2-Fluoropyridine 99%; 2-Fluoropyridine; 2-氟吡啶

Database IDs

• CAS Number: 372-48-5
• EC Number: 206-757-5
• MDL Number: MFCD00006224
• Beilstein Number: 1515
• PubChem SID: 24894777; 160973279; 24871024
• PubChem CID: 9746

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2922058
• LogD (pH = 7.4): 1.292206
• Log P: 1.292206
• Molar Refractivity: 25.1322 cm^3
• Polarizability: 9.114505 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 124-126°C; 124-126°C; 126 °C/753 mmHg(lit.); 126°C @ 753 mm Hg; 126°C/753mm
• Flash Point: 24 °C; 24°C; 24°C(75°F); 28.3°C; 75.2 °F
• Density: 1.128; 1.128 g/mL at 25 °C(lit.); 1.129; 1.13 g/ml
• Refractive Index: 1.4660; 1.4670; 1.468; n20/D 1.466(lit.); n20/D 1.468

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Flammable/Irritant/Store under Argon; IRRITANT, FLAMMABLE
• RTECS: UT3900000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; II; III
• Australian Hazchem: 3YE
• Risk Statements: 10-36/37/38; R:10-36/37/38
• Safety Statements: 26-36; 7-26-33-37-60; S:9-16-25-26-29
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥98.0% (GC); 97%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H4FN

DETAILS

MP Biomedicals - 02158145

1 ml = approx. 1.13 g

Apollo Scientific Ltd - PC4200

JOC., 53, 2740 (1998): A useful precursor to a large range of 2,3-disubstituted pyridines. Fluorine is activated to nucleophilic displacement & C-3 metallation is possible.

Sigma Aldrich - F15250

Packaging
10, 100 g in glass bottle

Sigma Aldrich - 47460

Caution
may become deep brown-yellow on storage

REFERENCES

• The possibility of metallation at C-3, together with the ready nucleophilic displacement of the activated fluorine makes 2-fluoropyridine a useful precursor of a wide range of 2,3-disubstituted pyridines. See, e.g.: J. Org. Chem., 53, 2740 (1988):