2-methoxy-3-nitropyridine

• ChemBase ID: 29721
• Molecular Formular: C6H6N2O3
• Molecular Mass: 154.12344
• Monoisotopic Mass: 154.03784206
• SMILES: c1cnc(c(c1)[N+](=O)[O-])OC
• Canonical SMILES: COc1ncccc1[N+](=O)[O-]
• InChI: InChI=1S/C6H6N2O3/c1-11-6-5(8(9)10)3-2-4-7-6/h2-4H,1H3
• InChIKey: WZNQCVOSOCGWJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-nitropyridine
• IUPAC Traditional name: 2-methoxy-3-nitropyridine
• Synonyms: 2-Methoxy-3-nitropyridine; 2-Methoxy-3-nitropyridine; 2-甲氧基-3-硝基吡啶

Database IDs

• CAS Number: 20265-35-4; 20256-35-4
• EC Number: 000-000-0
• MDL Number: MFCD00023459
• Beilstein Number: 138199
• PubChem SID: 160993028
• PubChem CID: 253219

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1323438
• LogD (pH = 7.4): 1.1323439
• Log P: 1.1323439
• Molar Refractivity: 36.9983 cm^3
• Polarizability: 13.922726 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50-53°C; 52-57 °C; 53-55°C
• Flash Point: >110 °C; >230 °F

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-37; 26-39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C6H6N2O3

DETAILS

MP Biomedicals - 05212461

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 736880

Packaging
1, 5 g in glass bottle