3,4-dichloropyridine

• ChemBase ID: 13694
• Molecular Formular: C5H3Cl2N
• Molecular Mass: 147.99002
• Monoisotopic Mass: 146.96425446
• SMILES: c1cncc(c1Cl)Cl
• Canonical SMILES: Clc1cnccc1Cl
• InChI: InChI=1S/C5H3Cl2N/c6-4-1-2-8-3-5(4)7/h1-3H
• InChIKey: ZMPYQKNNUHPTLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloropyridine
• IUPAC Traditional name: 3,4-dichloropyridine
• Synonyms: 3,4-Dichloropyridine

Database IDs

• CAS Number: 55934-00-4
• MDL Number: MFCD01861989
• PubChem SID: 160977001
• PubChem CID: 2736081

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9632816
• LogD (pH = 7.4): 1.963658
• Log P: 1.9636627
• Molar Refractivity: 33.5107 cm^3
• Polarizability: 13.275927 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 22 - 23°C; 22-23°C
• Hydrophobicity(logP): 2.036

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%

DETAILS

Toronto Research Chemicals - D435920

3,4-Dichloropyridine is a dichlorinated pyridine, a versatile building block in the preparation of 3,4-substituted pyridine compounds.

REFERENCES

• Marzi, E. et al.: Eur. J. Org. Chem., 7, 1371 (2001)