5-chloro-2,3-difluoropyridine

• ChemBase ID: 22342
• Molecular Formular: C5H2ClF2N
• Molecular Mass: 149.5258864
• Monoisotopic Mass: 148.98438319
• SMILES: c1(cnc(c(c1)F)F)Cl
• Canonical SMILES: Clc1cnc(c(c1)F)F
• InChI: InChI=1S/C5H2ClF2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
• InChIKey: PERMDYZFNQIKBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2,3-difluoropyridine
• IUPAC Traditional name: 5-chloro-2,3-difluoropyridine
• Synonyms: 5-Chloro-2,3-difluoropyridine; 5-Chloro-2,3-difluoropyridine 98%; 5-Chloro-2,3-difluoropyridine; 2,3-Difluoro-5-chloropyridine; 5-氯-2,3-二氟吡啶; 2,3-二氟-5-氯吡啶

Database IDs

• CAS Number: 89402-43-7
• EC Number: 410-090-7
• MDL Number: MFCD04039314
• Beilstein Number: 4177319
• PubChem SID: 160985649
• PubChem CID: 2783248

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0389526
• LogD (pH = 7.4): 2.0389526
• Log P: 2.0389526
• Molar Refractivity: 30.1534 cm^3
• Polarizability: 10.963933 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 47 - 49°C
• Boiling Point: 135°C; 135°C
• Flash Point: 118.4 °F; 48 °C; 48°C; 48°C(118°F)
• Density: 1.44; 1.442; 1.442 g/mL at 25 °C
• Refractive Index: 1.4738; 1.474; 1.4740
• Hydrophobicity(logP): 1.667

Safety Information

• Storage Warning: Flammable/Harmful/Store under Argon/Keep Cold; IRRITANT
• European Hazard Symbols: X
• UN Number: 1993; UN1993
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-22-52/53
• Safety Statements: 23-36-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H402-H412; H226-H302-H412
• GHS Precautionary statements: P261-P280F-P273; P273
• RID/ADR: UN 1993 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H2ClF2N

DETAILS

Sigma Aldrich - 720208

Packaging
5 g in glass bottle