4-chloro-3-fluoropyridine

• ChemBase ID: 13775
• Molecular Formular: C5H3ClFN
• Molecular Mass: 131.5354232
• Monoisotopic Mass: 130.993805
• SMILES: c1cncc(c1Cl)F
• Canonical SMILES: Fc1cnccc1Cl
• InChI: InChI=1S/C5H3ClFN/c6-4-1-2-8-3-5(4)7/h1-3H
• InChIKey: BEQUUSCRAKEKQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-fluoropyridine
• IUPAC Traditional name: 4-chloro-3-fluoropyridine
• Synonyms: 4-Chloro-3-fluoropyridine; 4-Chloro-3-fluoropyridine; 4-氯-3-氟吡啶

Database IDs

• CAS Number: 2546-56-7
• MDL Number: MFCD03453233
• Beilstein Number: 1422747
• PubChem SID: 160977082; 24886226
• PubChem CID: 3852429

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5021971
• LogD (pH = 7.4): 1.5023185
• Log P: 1.50232
• Molar Refractivity: 28.9223 cm^3
• Polarizability: 11.101813 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 28 °C; 28°C; 82.4 °F
• Density: 1.333 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Flammable/Irritant; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: 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: ≥95.0%; 98%
• Empirical Formula (Hill Notation): C5H3ClFN

DETAILS

Sigma Aldrich - 71585

Caution
may discolor to yellow on storage
Packaging
5, 25 g in glass bottle