2,4-dichloropyridine

• ChemBase ID: 13669
• Molecular Formular: C5H3Cl2N
• Molecular Mass: 147.99002
• Monoisotopic Mass: 146.96425446
• SMILES: c1c(nccc1Cl)Cl
• Canonical SMILES: Clc1ccnc(c1)Cl
• InChI: InChI=1S/C5H3Cl2N/c6-4-1-2-8-5(7)3-4/h1-3H
• InChIKey: TYPVHTOETJVYIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloropyridine
• IUPAC Traditional name: 2,4-dichloropyridine
• Synonyms: 2,4-Dichloro-pyridine; 2,4-Dichloropyridine; 2,4-Dichloropyridine; 2,4-二氯吡啶

Database IDs

• CAS Number: 26452-80-2
• EC Number: 247-717-7
• MDL Number: MFCD00955618
• Beilstein Number: 108666
• PubChem SID: 24882789; 160976976
• PubChem CID: 33515

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1838381
• LogD (pH = 7.4): 2.1838398
• Log P: 2.18384
• Molar Refractivity: 34.572 cm^3
• Polarizability: 13.295659 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Yellow to Pale Orange Liquid
• Melting Point: -1°C; -1°C; -1-0°C
• Boiling Point: 189-190 °C(lit.); 189-190°C; 189-190°C; 76-78 °C/23 mmHg(lit.)
• Flash Point: 192.2 °F; 89 °C; 89°C; 89°C(192°F)
• Density: 1.37
• Refractive Index: 1.5485
• Hydrophobicity(logP): 2.156

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• RTECS: NC3410400
• European Hazard Symbols: Toxic (T); X
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22-36/37/38; 25-38-41-43
• Safety Statements: 26-36/37; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H317-H318; H311-H302-H315-H319-H335-H227
• GHS Precautionary statements: P280H-P305+P351+P338-P361-P302+P352-P309+P311; 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

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3Cl2N

DETAILS

Sigma Aldrich - 636584

Packaging
1, 5 g in glass bottle