2-chloro-3-fluoropyridine

• ChemBase ID: 12155
• Molecular Formular: C5H3ClFN
• Molecular Mass: 131.5354232
• Monoisotopic Mass: 130.993805
• SMILES: c1cnc(c(c1)F)Cl
• Canonical SMILES: Fc1cccnc1Cl
• InChI: InChI=1S/C5H3ClFN/c6-5-4(7)2-1-3-8-5/h1-3H
• InChIKey: SVAZIMBLBHOVIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-fluoropyridine
• IUPAC Traditional name: 2-chloro-3-fluoropyridine
• Synonyms: 2-Chloro-3-fluoropyridine; 2-Chloro-3-fluoropyridine; 2-氯-3-氟吡啶

Database IDs

• CAS Number: 17282-04-1
• MDL Number: MFCD03095302
• Beilstein Number: 1363435
• PubChem SID: 160975462; 24882788
• PubChem CID: 2782791

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.722497
• LogD (pH = 7.4): 1.7224972
• Log P: 1.7224972
• Molar Refractivity: 29.9836 cm^3
• Polarizability: 11.156184 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 62-64°C/23mm; 63°C/23mm; 64-65°C/80mm; 80 °C/80 mmHg(lit.)
• Flash Point: 145.4 °F; 63 °C; 63°C; 72°C(161°F)
• Density: 1.323 g/mL at 25 °C(lit.); 1.325
• Refractive Index: 1.5022; 1.5095; n20/D 1.509(lit.)
• Hydrophobicity(logP): 1.614

Safety Information

• Storage Warning: Flammable/Irritant; IRRITANT
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 22-41; 23/24/25-37/38-41
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H310-H330-H315-H335-H318-H227; H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3ClFN

DETAILS

Sigma Aldrich - 636576

Packaging
5, 25 g in glass bottle