3,5-dichloropyridine

• ChemBase ID: 69399
• Molecular Formular: C5H3Cl2N
• Molecular Mass: 147.99002
• Monoisotopic Mass: 146.96425446
• SMILES: c1c(cc(cn1)Cl)Cl
• Canonical SMILES: Clc1cncc(c1)Cl
• InChI: InChI=1S/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3H
• InChIKey: WPGHPGAUFIJVJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloropyridine
• IUPAC Traditional name: 3,5-dichloropyridine
• Synonyms: NSC 60546; 3,5-Dichloropyridine 98%; 3,5-Dichloropyridine; 3,5-Dichloropyridine; 3,5-二氯吡啶

Database IDs

• CAS Number: 2457-47-8
• EC Number: 219-537-9
• MDL Number: MFCD00006376
• Beilstein Number: 1973
• PubChem SID: 162035125; 24894126
• PubChem CID: 17153

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9636263
• LogD (pH = 7.4): 1.9636623
• Log P: 1.9636627
• Molar Refractivity: 33.5107 cm^3
• Polarizability: 13.2627125 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
• Apperance: White to Off-White Low Melting Solid
• Melting Point: 55-57°C; 63-67°C; 65-67 °C(lit.); 65-67°C
• Boiling Point: 178°C
• Flash Point: 74°C(165°F)
• Density: 1.39
• Hydrophobicity(logP): 2.163

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• RTECS: US8575000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22-36/37/38; 22-37/38-41
• Safety Statements: 26-36/37; 26-39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H311-H302-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338-P302+P352-P309+P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 95+%; 98%
• Empirical Formula (Hill Notation): C5H3Cl2N

DETAILS

MP Biomedicals - 05214965

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D73804

Packaging
25, 100 g in poly bottle