3,5-difluoropyridine

• ChemBase ID: 22340
• Molecular Formular: C5H3F2N
• Molecular Mass: 115.0808264
• Monoisotopic Mass: 115.02335554
• SMILES: c1(cncc(c1)F)F
• Canonical SMILES: Fc1cncc(c1)F
• InChI: InChI=1S/C5H3F2N/c6-4-1-5(7)3-8-2-4/h1-3H
• InChIKey: WRXAZPPGFLETFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoropyridine
• IUPAC Traditional name: 3,5-difluoropyridine
• Synonyms: 3,5-Difluoropyridine; 3,5-Difluoropyridine 98%; 3,5-Difluoropyridine; 3,5-二氟吡啶

Database IDs

• CAS Number: 71902-33-5
• EC Number: 000-000-0
• MDL Number: MFCD03412222
• Beilstein Number: 7914363
• PubChem SID: 160985647
• PubChem CID: 642820

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0409753
• LogD (pH = 7.4): 1.0409772
• Log P: 1.0409772
• Molar Refractivity: 24.3339 cm^3
• Polarizability: 8.948301 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 92-93°C; 92-93°C
• Flash Point: 44.6 °F; 7 °C; 7.2°C; 9°C(48°F)
• Density: 1.256 g/mL at 25 °C; 1.268
• Refractive Index: 1.4437; n20/D 1.444
• Hydrophobicity(logP): 1.023

Safety Information

• Storage Warning: Highly Flammable/Harmful/Irritant/Store under Argon; IRRITANT, FLAMMABLE
• European Hazard Symbols: Flammable (F); Nature polluting (N); Irritant (Xi); Harmful (Xn)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-36/37/38-50; 11-36/37/38
• Safety Statements: 16-26-29-37; 26-36/37-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H315-H319-H332-H335-H400; H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P273-P280-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 2

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3F2N

DETAILS

Sigma Aldrich - 703923

Packaging
1, 5 g in glass bottle