2,6-dichloro-4-nitropyridine

• ChemBase ID: 142136
• Molecular Formular: C5H2Cl2N2O2
• Molecular Mass: 192.98758
• Monoisotopic Mass: 191.94933267
• SMILES: c1c(cc(nc1Cl)Cl)[N+](=O)[O-]
• Canonical SMILES: Clc1cc(cc(n1)Cl)[N+](=O)[O-]
• InChI: InChI=1S/C5H2Cl2N2O2/c6-4-1-3(9(10)11)2-5(7)8-4/h1-2H
• InChIKey: BZYQSSVTQJTUDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-nitropyridine
• IUPAC Traditional name: 2,6-dichloro-4-nitropyridine
• Synonyms: 2,6-Dichloro-4-nitro-pyridine; 2,6-Dichloro-4-nitropyridine; 2,6-Dichloro-4-nitropyridine; 2,6-二氯-4-硝基吡啶; 2.6-二氯-4-硝基吡啶

Database IDs

• CAS Number: 25194-01-8
• MDL Number: MFCD05670545
• PubChem SID: 24883534; 162236366
• PubChem CID: 3841070

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3440013
• LogD (pH = 7.4): 2.3440013
• Log P: 2.3440013
• Molar Refractivity: 41.9538 cm^3
• Polarizability: 15.432473 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94 - 98°C; 94-98 °C; 94-98°C
• Hydrophobicity(logP): 2.034

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 22-37/38-41-43
• Safety Statements: 26-36/37; 26-39
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H317-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C5H2Cl2N2O2

DETAILS

Sigma Aldrich - 647411

Packaging
1, 5 g in glass bottle