3-ethoxy-2-nitropyridine

• ChemBase ID: 92422
• Molecular Formular: C7H8N2O3
• Molecular Mass: 168.15002
• Monoisotopic Mass: 168.05349213
• SMILES: n1c(c(ccc1)OCC)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ncccc1OCC
• InChI: InChI=1S/C7H8N2O3/c1-2-12-6-4-3-5-8-7(6)9(10)11/h3-5H,2H2,1H3
• InChIKey: WBEVIQNYYGPESH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-2-nitropyridine
• IUPAC Traditional name: 3-ethoxy-2-nitropyridine
• Synonyms: 2-NITRO-3-ETHOXY PYRIDINE; 3-Ethoxy-2-nitropyridine 98%; 3-Ethoxy-2-nitropyridine; 3-乙氧基-2-硝基吡啶

Database IDs

• CAS Number: 74037-50-6
• EC Number: 277-676-0
• MDL Number: MFCD00006257
• Beilstein Number: 141592
• PubChem SID: 162079120
• PubChem CID: 52866

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4891518
• LogD (pH = 7.4): 1.4891518
• Log P: 1.4891518
• Molar Refractivity: 41.7469 cm^3
• Polarizability: 15.746163 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 28-32°C; 28-32°C; 30-31 °C(lit.)
• Boiling Point: 156-158°C/15mm; 156-158°C/15mm; 175 °C/50 mmHg(lit.)
• Flash Point: >100°C; >100°C(212°F); 100.4 °F; 38 °C

Safety Information

• Storage Warning: Irritant
• RTECS: UT3001500
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 10-36/37/38; 36/37/38
• Safety Statements: 16-26-36/37/39; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C7H8N2O3

DETAILS

MP Biomedicals - 05222948

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 116211

Packaging
1 g in glass bottle