3-fluoro-4-iodopyridine

• ChemBase ID: 15495
• Molecular Formular: C5H3FIN
• Molecular Mass: 222.9868932
• Monoisotopic Mass: 222.92942532
• SMILES: c1cncc(c1I)F
• Canonical SMILES: Fc1cnccc1I
• InChI: InChI=1S/C5H3FIN/c6-4-3-8-2-1-5(4)7/h1-3H
• InChIKey: MSLUTDVOKZOXTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-iodopyridine
• IUPAC Traditional name: 3-fluoro-4-iodopyridine
• Synonyms: 3-Fluoro-4-iodopyridine; 3-Fluoro-4-iodo-pyridine; 4-Iodo-3-fluoropyridine; 3-Fluoro-4-iodopyridine; 4-碘-3-氟吡啶; 3-氟-4-碘吡啶

Database IDs

• CAS Number: 131674-41-4; 22282-75-3
• MDL Number: MFCD03092927
• PubChem SID: 160978802
• PubChem CID: 10998636

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8271669
• LogD (pH = 7.4): 1.8272191
• Log P: 1.8272198
• Molar Refractivity: 37.48 cm^3
• Polarizability: 14.578102 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate; Methanol
• Apperance: White Solid
• Melting Point: 79 - 81°C; 85-89 °C; 85-89°C; 86.8-87.0°C; 87-90°C
• Hydrophobicity(logP): 2.024

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Moisture Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36/37/39-45; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3FIN

DETAILS

Sigma Aldrich - 685216

Packaging
1, 5 g in glass bottle

Toronto Research Chemicals - F591975

An intermediate for the synthesis of Norharmane.