2-chloro-5-nitropyridine

• ChemBase ID: 11797
• Molecular Formular: C5H3ClN2O2
• Molecular Mass: 158.54252
• Monoisotopic Mass: 157.98830503
• SMILES: c1c(ncc(c1)[N+](=O)[O-])Cl
• Canonical SMILES: Clc1ccc(cn1)[N+](=O)[O-]
• InChI: InChI=1S/C5H3ClN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H
• InChIKey: BAZVFQBTJPBRTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-nitropyridine
• IUPAC Traditional name: pyridine, 2-chloro-5-nitro-
• Synonyms: 2-Chloro-5-nitropyridine; 2-Chloro-5-nitropyridine; 2-氯-5-硝基吡啶

Database IDs

• CAS Number: 34515-81-6; 4548-45-2
• EC Number: 224-908-3
• MDL Number: MFCD00006240
• Beilstein Number: 120453
• PubChem SID: 160975104; 24892844; 24855506
• PubChem CID: 78308

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5197794
• LogD (pH = 7.4): 1.5197794
• Log P: 1.5197794
• Molar Refractivity: 36.0877 cm^3
• Polarizability: 13.384868 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104-109°C; 105-108 °C(lit.); 105-108°C; 105-109 °C; 106-108°C
• Flash Point: 158°C; 158°C(316°F)

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• RTECS: US7175000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (AT); 97%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H3ClN2O2

DETAILS

MP Biomedicals - 05206211

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C61801

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 25610

Caution
may discolor to a dark color on storage