2,3-dichloropyridine

• ChemBase ID: 13695
• Molecular Formular: C5H3Cl2N
• Molecular Mass: 147.99002
• Monoisotopic Mass: 146.96425446
• SMILES: c1cnc(c(c1)Cl)Cl
• Canonical SMILES: Clc1ncccc1Cl
• InChI: InChI=1S/C5H3Cl2N/c6-4-2-1-3-8-5(4)7/h1-3H
• InChIKey: MAKFMOSBBNKPMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloropyridine
• IUPAC Traditional name: 2,3-dichloropyridine
• Synonyms: 2,3-Dichloropyridine; 2,3-Dichloropyridine; 2,3-Dichloro-pyridine; 2,3-二氯吡啶

Database IDs

• CAS Number: 109-09-1; 2402-77-9
• EC Number: 219-281-8
• MDL Number: MFCD00006229
• Beilstein Number: 109811
• PubChem SID: 24894124; 160977002
• PubChem CID: 16988

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1838393
• LogD (pH = 7.4): 2.1838398
• Log P: 2.18384
• Molar Refractivity: 34.572 cm^3
• Polarizability: 13.331104 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64-67 °C(lit.); 64-69°C; 65 - 67°C; 65-67°C; 65-69°C
• Hydrophobicity(logP): 2.064

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• RTECS: US8050000
• 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; 26-36/37
• 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%; 97%; 98%; 99%
• Empirical Formula (Hill Notation): C5H3Cl2N

DETAILS

Sigma Aldrich - D73405

Packaging
10 g in poly bottle