2,5-dichloropyridine

• ChemBase ID: 15466
• Molecular Formular: C5H3Cl2N
• Molecular Mass: 147.99002
• Monoisotopic Mass: 146.96425446
• SMILES: c1(cnc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cn1)Cl
• InChI: InChI=1S/C5H3Cl2N/c6-4-1-2-5(7)8-3-4/h1-3H
• InChIKey: GCTFDMFLLBCLPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloropyridine
• IUPAC Traditional name: 2,5-dichloropyridine
• Synonyms: 2,5-Dichloropyridine; 2,5-Dichloropyridine; 2,5-二氯吡啶

Database IDs

• CAS Number: 16110-09-1
• EC Number: 240-278-2
• MDL Number: MFCD00006239
• Beilstein Number: 108886
• PubChem SID: 24851611; 160978773
• PubChem CID: 27685

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1838398
• LogD (pH = 7.4): 2.1838398
• Log P: 2.18384
• Molar Refractivity: 34.572 cm^3
• Polarizability: 13.300636 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 62°C; 59-62 °C(lit.); 59-62°C; 59-62°C
• Boiling Point: 190-191°C; 190-191°C
• Flash Point: 112°C(233°F)
• Hydrophobicity(logP): 2.184

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: US8225000
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22-36/37/38; 36/37/38
• Safety Statements: 26-36/37; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H311-H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338-P302+P352-P309+P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

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

DETAILS

Sigma Aldrich - 193763

Packaging
10 g in glass bottle
50 g in poly bottle